Dimethylglycine
Showing entry for Dimethylglycine
Identification
- PhytoHub ID
- PHUB002355
- Name
- Dimethylglycine
- Systematic Name
- 2-(dimethylamino)acetic acid
- Synonyms
- 2-(dimethylamino)acetic acid
- dimethylamino acetic acid
- dimethylglycine
- DMG
- N-Methylsarcosine
- N,-N-dimethyl glycine
- N,N-dimethyglycine
- N,N-dimethylglycine
- CAS Number
- 1118-68-9
- Average Mass
- 103.121
- Monoisotopic Mass
- 103.063328534
- Chemical Formula
- C4H9NO2
- IUPAC Name
- 2-(dimethylamino)acetic acid
- InChI Key
- FFDGPVCHZBVARC-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
- SMILES
CN(C)CC(O)=O
- Structure
Structure for Dimethylglycine
Calculated Properties
- Solubility (ALOGPS)
- 9.39e+02 g/l
- LogS (ALOGPS)
- 0.96
- LogP (ALOGPS)
- -1.70
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 40.540000000000006
- Refractivity
- 26.0727
- Polarizability
- 10.472395594382878
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- 9.691600277978429
- pKa (strongest acidic)
- 1.8808127451470076
- Number of Rings
- 0
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 673
Taxonomy as Metabolite
- Family
- N-containing compound metabolites
- Class
- Amino acid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Glycine | N-containing compounds | Amino acids | Not Available | Show Food Phytochemical |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Carboxylic acids and derivatives
- Super-class
- Organic acids and derivatives
- Sub-class
- Amino acids, peptides, and analogues
- Direct Parent Name
- Alpha amino acids
- Alternative Parent Names
- ["Amino acids", "Carbonyl compounds", "Carboxylic acids", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "Organic oxides", "Organopnictogen compounds", "Trialkylamines"]
- External Descriptor Annotations
- ["N-methyl-amino acid", "N-methylglycines"]
- Substituent Names
- ["Aliphatic acyclic compound", "Alpha-amino acid", "Amine", "Amino acid", "Carbonyl group", "Carboxylic acid", "Hydrocarbon derivative", "Monocarboxylic acid or derivatives", "Organic nitrogen compound", "Organic oxide", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Tertiary aliphatic amine", "Tertiary amine"]
Spectra from Online Resources
No spectra information available
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Glycine | Common bean | Pulses and beans | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Glycine | Dimethylglycine | human | urine | unknown | Not Available | Not Available | Not Available | C4H9NO2 | 103.063328534 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|