Molecule ID: 565965

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

Description: The molecule is a methylhistidine in which the methyl group is located at N-3. It has a role as a human metabolite. It is a non-proteinogenic alpha-amino acid and a methylhistidine. It is a tautomer of a 3-methylhistidine zwitterion.

SMILES: Cn1cncc1CC(N)C(=O)O

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

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

Molecular Properties:
- Polar Surface Area: 81.1 Ų
- LogP: -3.3