Molecule ID: 25010766

IUPAC Name: 2-amino-10-methylsulfanyldecanoic acid

Description: The molecule is a sulfur-containing amino acid consisting of 2-aminodecanoic acid having a methylthio substituent at the 10-position. It is a sulfur-containing amino acid, a non-proteinogenic alpha-amino acid and a methyl sulfide. It is a tautomer of a hexahomomethionine zwitterion.

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

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

InChI: InChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 88.6 Ų
- LogP: 0.4