Identification
- Generic Name
- N,N-dimethylglycine
- DrugBank Accession Number
- DB02083
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for N,N-dimethylglycine (DB02083)
- Weight
- Average: 103.1198
Monoisotopic: 103.063328537 - Chemical Formula
- C4H9NO2
- Synonyms
- (dimethylamino)acetic acid
- 2-(Dimethylamino)acetic acid
- Dimethylglycine
- N-Methylsarcosine
- N,N-Dimethylaminoacetic acid
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UMonomeric sarcosine oxidase Not Available Bacillus sp. (strain B-0618) - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acids
- Alternative Parents
- Trialkylamines / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Alpha-amino acid / Amine / Amino acid / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic nitrogen compound / Organic oxide
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- N-methyl-amino acid, N-methylglycines (CHEBI:17724)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7797M4CPPA
- CAS number
- 1118-68-9
- InChI Key
- FFDGPVCHZBVARC-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
- IUPAC Name
- 2-(dimethylamino)acetic acid
- SMILES
- CN(C)CC(O)=O
References
- Synthesis Reference
Roger V. Kendall, John W. Lawson, "Dimethylglycine enhancement of antibody production." U.S. Patent US5118618, issued December, 1982.
US5118618- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000092
- KEGG Compound
- C01026
- PubChem Compound
- 673
- PubChem Substance
- 46507083
- ChemSpider
- 653
- 1313173
- ChEBI
- 58251
- ZINC
- ZINC000000895466
- PDBe Ligand
- DMG
- Wikipedia
- Dimethylglycine
- PDB Entries
- 1el5 / 1vrq / 1x31 / 1xkp / 3so5 / 4e6r / 5cvd / 5him
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 185.5 °C PhysProp boiling point (°C) 63.9 °C PhysProp logP -2.91 TSAI,RS ET AL. (1991) pKa 2.04 TSAI,RS ET AL. (1991) - Predicted Properties
Property Value Source Water Solubility 939.0 mg/mL ALOGPS logP -1.7 ALOGPS logP -3.1 Chemaxon logS 0.96 ALOGPS pKa (Strongest Acidic) 1.88 Chemaxon pKa (Strongest Basic) 9.69 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 40.54 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 26.07 m3·mol-1 Chemaxon Polarizability 10.47 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9652 Blood Brain Barrier + 0.9325 Caco-2 permeable + 0.6471 P-glycoprotein substrate Non-substrate 0.7086 P-glycoprotein inhibitor I Non-inhibitor 0.9753 P-glycoprotein inhibitor II Non-inhibitor 0.9693 Renal organic cation transporter Non-inhibitor 0.9009 CYP450 2C9 substrate Non-substrate 0.8119 CYP450 2D6 substrate Non-substrate 0.8624 CYP450 3A4 substrate Non-substrate 0.6141 CYP450 1A2 substrate Non-inhibitor 0.8959 CYP450 2C9 inhibitor Non-inhibitor 0.9751 CYP450 2D6 inhibitor Non-inhibitor 0.9411 CYP450 2C19 inhibitor Non-inhibitor 0.9739 CYP450 3A4 inhibitor Non-inhibitor 0.9808 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9919 Ames test Non AMES toxic 0.9363 Carcinogenicity Carcinogens 0.5934 Biodegradation Ready biodegradable 0.6461 Rat acute toxicity 2.1692 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9489 hERG inhibition (predictor II) Non-inhibitor 0.9504
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 114.9439019 predictedDarkChem Lite v0.1.0 [M-H]- 115.0098019 predictedDarkChem Lite v0.1.0 [M-H]- 114.9841019 predictedDarkChem Lite v0.1.0 [M-H]- 126.53521 predictedDeepCCS 1.0 (2019) [M+H]+ 117.3765019 predictedDarkChem Lite v0.1.0 [M+H]+ 115.7299019 predictedDarkChem Lite v0.1.0 [M+H]+ 115.8399019 predictedDarkChem Lite v0.1.0 [M+H]+ 129.29654 predictedDeepCCS 1.0 (2019) [M+Na]+ 115.1750019 predictedDarkChem Lite v0.1.0 [M+Na]+ 115.2059019 predictedDarkChem Lite v0.1.0 [M+Na]+ 115.2246019 predictedDarkChem Lite v0.1.0 [M+Na]+ 137.69441 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Bacillus sp. (strain B-0618)
- Pharmacological action
- Unknown
- General Function
- Sarcosine oxidase activity
- Specific Function
- Catalyzes the oxidative demethylation of sarcosine. Can also oxidize other secondary amino acids such as N-methyl-L-alanine.
- Gene Name
- soxA
- Uniprot ID
- P40859
- Uniprot Name
- Monomeric sarcosine oxidase
- Molecular Weight
- 43181.395 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52