Molecule ID: 70630

IUPAC Name: 3-(1H-imidazol-5-yl)propanoic acid

Description: The molecule is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by an imidazol-4-yl group. It is a member of imidazoles and a monocarboxylic acid. It derives from a propionic acid. It is a conjugate acid of a dihydrourocanate.

SMILES: O=C(O)CCc1cnc[nH]1

SELFIES: [O][=C][Branch1][C][O][C][C][C][=C][N][=C][NH1][Ring1][Branch1]

InChI: InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)

Molecular Properties:
- Polar Surface Area: 66.0 Ų
- LogP: -0.3