Molecule ID: 7036275

IUPAC Name: (2S,3S)-2-acetamido-3-methylpentanoic acid

Description: The molecule is an N-acetyl-L-amino acid that is L-isoleucine in which one of the nitrogens attached to the nitrogen is replaced by an acetyl group. It is a N-acetyl-L-amino acid, a L-isoleucine derivative and a N-acetylisoleucine. It is a conjugate acid of a N-acetyl-L-isoleucinate.

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

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

InChI: InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 0.6