3-methyl-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
3-methyl-1-[rel-(3aR,6aR)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]butan-1-one
3-methyl-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: | S984-1311 |
Compound Name: | 3-methyl-1-[rel-(3aR,6aR)-5-(2-methylpropanoyl)-3a-(pyrrolidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]butan-1-one |
Molecular Weight: | 363.5 |
Molecular Formula: | C20 H33 N3 O3 |
Smiles: | CC(C)CC(N1C[C@@H]2CN(C[C@@]2(C1)C(N1CCCC1)=O)C(C(C)C)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.8857 |
logD: | 1.8857 |
logSw: | -1.9712 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.759 |
InChI Key: | NAZDDLGKQYUOCL-JXFKEZNVSA-N |