Molecule ID: 443439

IUPAC Name: (6S)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione

Description: The molecule is a 2,5-diketopiperazine where the substituents are methylidene and (S)-isopropyl at positions 3 and 6 respectively. It has a role as a metabolite.

SMILES: C=C1N=C(O)[C@H](C(C)C)N=C1O

SELFIES: [C][=C][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][O]

InChI: InChI=1S/C8H12N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4,6H,3H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.2 Ų
- LogP: 0.7