Molecule ID: 25010768

IUPAC Name: 2-amino-8-methylsulfanyloctanoic acid

Description: The molecule is a sulfur-containing amino acid consisting of 2-aminooctanoic acid having a methylthio substituent at the 8-position. It is a sulfur-containing amino acid, a non-proteinogenic alpha-amino acid and a methyl sulfide. It is a tautomer of a tetrahomomethionine zwitterion.

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

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

InChI: InChI=1S/C9H19NO2S/c1-13-7-5-3-2-4-6-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 88.6 Ų
- LogP: -0.7