Molecule ID: 440770

IUPAC Name: 2-amino-4-cyanobutanoic acid

Description: The molecule is an alpha-amino acid that is 2-aminobutanoic acid substituted at position 4 by a cyano group. It is a non-proteinogenic alpha-amino acid and an aliphatic nitrile. It derives from a butyric acid.

SMILES: N#CCCC(N)C(=O)O

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

InChI: InChI=1S/C5H8N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)

Molecular Properties:
- Polar Surface Area: 87.1 Ų
- LogP: -3.5