2-ethyl-1-[rel-(3aR,6aR)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]butan-1-one
Chemical Structure Depiction of
2-ethyl-1-[rel-(3aR,6aR)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]butan-1-one
2-ethyl-1-[rel-(3aR,6aR)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]butan-1-one
Compound characteristics
| Compound ID: | S984-1310 |
| Compound Name: | 2-ethyl-1-[rel-(3aR,6aR)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]butan-1-one |
| Molecular Weight: | 377.53 |
| Molecular Formula: | C21 H35 N3 O3 |
| Smiles: | CCC(CC)C(N1C[C@@H]2CN(C[C@@]2(C1)C(N1CCCC1)=O)C(C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4263 |
| logD: | 2.4263 |
| logSw: | -2.086 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.286 |
| InChI Key: | DGBKMKJSIMAYDB-UWJYYQICSA-N |