Molecule ID: 192731

IUPAC Name: (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione

Description: The molecule is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which one hydrogen at position 3 and one hydrogen at position 6 are replaced by isobutyl groups (the 3S,6S-diastereomer).

SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC(C)C)N=C1O

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

InChI: InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: 2.1