Molecule ID: 4727

IUPAC Name: 2-amino-3-methyl-3-sulfanylbutanoic acid

Description: The molecule is an alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. It is a non-proteinogenic alpha-amino acid and a thiol.

SMILES: CC(C)(S)C(N)C(=O)O

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

InChI: InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 64.3 Ų
- LogP: -1.8