1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-cyclopentylethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-cyclopentylethan-1-one
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-cyclopentylethan-1-one
Compound characteristics
| Compound ID: | S984-1095 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-cyclopentylethan-1-one |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C20 H31 N3 O3 |
| Smiles: | CC(N1C[C@H]2CN(C[C@]2(C1)C(N1CCCC1)=O)C(CC1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3534 |
| logD: | 1.3534 |
| logSw: | -1.2726 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.514 |
| InChI Key: | KVUVEPCUWRYNLO-PXNSSMCTSA-N |