Molecule ID: 876

IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid

Description: The molecule is a sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, a Daphnia magna metabolite and an algal metabolite. It is an alpha-amino acid and a sulfur-containing amino acid. It derives from a butyric acid. It is a conjugate base of a methioninium. It is a conjugate acid of a methioninate. It is a tautomer of a methionine zwitterion.

SMILES: CSCCC(N)C(=O)O

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

InChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 88.6 Ų
- LogP: -1.9