Molecule ID: 25010767

IUPAC Name: 2-amino-9-methylsulfanylnonanoic acid

Description: The molecule is a sulfur-containing amino acid consisting of 2-aminononanoic acid having a methylthio substituent at the 9-position. It is a sulfur-containing amino acid and a non-proteinogenic alpha-amino acid. It is a tautomer of a pentahomomethionine zwitterion.

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

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

InChI: InChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 88.6 Ų
- LogP: -0.2