Molecule ID: 54288091

IUPAC Name: (2S)-2-(heptanoylamino)-4-hydroxybutanoic acid

Description: The molecule is an N-acyl-L-amino acid that is the N-heptanoyl derivative of L-homoserine. It is a non-proteinogenic amino acid derivative and a N-acyl-L-amino acid. It derives from a L-homoserine.

SMILES: CCCCCCC(O)=N[C@@H](CCO)C(=O)O

SELFIES: [C][C][C][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H21NO4/c1-2-3-4-5-6-10(14)12-9(7-8-13)11(15)16/h9,13H,2-8H2,1H3,(H,12,14)(H,15,16)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: 1.3