Molecule ID: 560437

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

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

SMILES: CCC(C)C(NC)C(=O)O

SELFIES: [C][C][C][Branch1][C][C][C][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)

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