Molecule ID: 16019984

IUPAC Name: (2S,4R)-2-amino-4-methyl-5-oxopentanoic acid

Description: The molecule is a L-leucine derivative that is L-leucine substituted by an oxo group at position 5. It is a non-proteinogenic L-alpha-amino acid and a L-leucine derivative.

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

SELFIES: [C][C@@H1][Branch1][Ring1][C][=O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H11NO3/c1-4(3-8)2-5(7)6(9)10/h3-5H,2,7H2,1H3,(H,9,10)/t4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: -3.0