Molecule ID: 6928495

IUPAC Name: (2S)-2-acetamido-4-methylpentanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-leucine: major species at pH 7.3. It is a conjugate base of a N-acetyl-L-leucine. It is an enantiomer of a N-acetyl-D-leucinate.

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

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 1.2