Molecule ID: 92105

IUPAC Name: (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid

Description: The molecule is a L-histidine derivative in which the methyl group is at N(tele)-position. It has a role as a human metabolite. It is a L-histidine derivative and a non-proteinogenic L-alpha-amino acid.

SMILES: Cn1cnc(C[C@H](N)C(=O)O)c1

SELFIES: [C][N][C][=N][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][O]

InChI: InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1

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