Molecule ID: 439742

IUPAC Name: (2S)-2-amino-3-cyanopropanoic acid

Description: The molecule is a cyanoamino acid that is the 3-cyano-derivative of L-alanine. It has a role as an Escherichia coli metabolite, a human metabolite and a mouse metabolite. It is a cyanoamino acid and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a 3-cyano-L-alaninate. It is a tautomer of a 3-cyano-L-alanine zwitterion.

SMILES: N#CC[C@H](N)C(=O)O

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

InChI: InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 87.1 Ų
- LogP: -3.7