Molecule ID: 6451814

IUPAC Name: 2-(3-methylimidazol-4-yl)acetic acid

Description: The molecule is an imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1-methylimidazol-5-yl group. It has a role as a metabolite.

SMILES: Cn1cncc1CC(=O)O

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

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

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