1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-methylbutan-1-one
1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | S984-1041 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-acetyl-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-methylbutan-1-one |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C18 H29 N3 O3 |
| Smiles: | CC(C)CC(N1C[C@@H]2CN(C[C@@]2(C1)C(N1CCCC1)=O)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9669 |
| logD: | 0.9669 |
| logSw: | -0.9151 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.227 |
| InChI Key: | DPBNIXGTKDESEE-YJBOKZPZSA-N |