Molecule ID: 49867164

IUPAC Name: 2-(2H-imidazol-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 2H-imidazol-4-yl group. It has a role as a metabolite. It is a member of imidazoles and a monocarboxylic acid. It derives from an acetic acid. It is a tautomer of an imidazol-5-ylacetic acid and an imidazol-4-ylacetic acid.

SMILES: O=C(O)CC1=NCN=C1

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

InChI: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9)

Molecular Properties:
- Polar Surface Area: 62.0 Ų
- LogP: -0.8