Molecule ID: 6971015

IUPAC Name: (2S)-2-azaniumyl-4-sulfanylbutanoate

Description: The molecule is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-homocysteine; major species at pH 7.3. It has a role as a fundamental metabolite. It is a tautomer of a L-homocysteine.

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

SELFIES: [N][C@@H1][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)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 68.8 Ų
- LogP: -2.1