Molecule ID: 92117

IUPAC Name: 2-amino-4-sulfobutanoic acid

Description: The molecule is a non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group has benn oxidised to the corresponding sulfonic acid. It is an amino sulfonic acid, a carboxyalkanesulfonic acid and a non-proteinogenic alpha-amino acid. It derives from a homocysteine.

SMILES: NC(CCS(=O)(=O)O)C(=O)O

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

InChI: InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: -3.6