Molecule ID: 92235

IUPAC Name: 2-amino-3-(1H-1,2,4-triazol-5-yl)propanoic acid

Description: The molecule is a non-proteinogenic alpha-amino acid that is alanine in which one of the methyl hydrogens is replaced by a 1,2,4-triazol-3-yl group. It is a member of triazoles and a non-proteinogenic alpha-amino acid.

SMILES: NC(Cc1nc[nH]n1)C(=O)O

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

InChI: InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: -3.3