Molecule ID: 13538

IUPAC Name: 2-amino-3-cyanopropanoic acid

Description: The molecule is an alanine derivative obtained by replacement of one of the methyl hydrogens in alanine with a cyano group It is an alanine derivative, an aliphatic nitrile and a non-proteinogenic alpha-amino acid.

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

SELFIES: [N][#C][C][C][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)

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