Molecule ID: 4396761

IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid

Description: The molecule is a non-proteinogenic alpha-amino acid that is histidine in which the methyl group is located at the Calpha-position. It has a role as a human urinary metabolite. It derives from a histidine.

SMILES: CC(N)(Cc1cnc[nH]1)C(=O)O

SELFIES: [C][C][Branch1][C][N][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H11N3O2/c1-7(8,6(11)12)2-5-3-9-4-10-5/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 92.0 Ų
- LogP: -3.0