Molecule ID: 21117855

IUPAC Name: (2S)-4-methylsulfanyl-2-(propanoylamino)butanoic acid

Description: The molecule is an N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of propanoic acid with the amino group of L-methionine. It is a L-methionine derivative and a N-(fatty acyl)-L-alpha-amino acid. It derives from a propionic acid. It is a conjugate acid of a N-propanoyl-L-methioninate.

SMILES: CCC(O)=N[C@@H](CCSC)C(=O)O

SELFIES: [C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H15NO3S/c1-3-7(10)9-6(8(11)12)4-5-13-2/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 91.7 Ų
- LogP: 0.5