Molecule ID: 75810

IUPAC Name: 2-(1-methylimidazol-4-yl)acetic acid

Description: The molecule is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1-methyl-1H-imidazol-4-yl group. It has a role as a metabolite and a GABA agonist. It is a member of imidazoles and a monocarboxylic acid. It derives from an acetic acid. It is a conjugate acid of a 1-methyl-4-imidazoleacetate.

SMILES: Cn1cnc(CC(=O)O)c1

SELFIES: [C][N][C][=N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]

InChI: InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 55.1 Ų
- LogP: -0.5