Molecule ID: 5288628

IUPAC Name: (2S,3S)-3-methyl-2-(methylamino)pentanoic acid

Description: The molecule is an N-methyl-L-amino acid that is L-isoleucine in which one of the hydrogens attached to the alpha-nitrogen is substituted by a methyl group. It is a N-methyl-L-alpha-amino acid and a N-methylisoleucine.

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

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

InChI: InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: -1.8