Molecule ID: 778

IUPAC Name: 2-amino-4-sulfanylbutanoic acid

Description: The molecule is a sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain. It has a role as a fundamental metabolite. It is a sulfur-containing amino acid, a member of homocysteines and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a homocysteinate. It is a tautomer of a homocysteine zwitterion.

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

SELFIES: [N][C][Branch1][Ring2][C][C][S][C][=Branch1][C][=O][O]

InChI: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)

Molecular Properties:
- Polar Surface Area: 64.3 Ų
- LogP: -3.4