methyl rel-(3aR,6aR)-5-ethyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl rel-(3aR,6aR)-5-ethyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl rel-(3aR,6aR)-5-ethyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8007-3689 |
| Compound Name: | methyl rel-(3aR,6aR)-5-ethyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 225.2 |
| Molecular Formula: | C9 H11 N3 O4 |
| Smiles: | CCN1C([C@@H]2C(C(=O)OC)=NN[C@@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5255 |
| logD: | -0.6104 |
| logSw: | -0.5307 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.936 |
| InChI Key: | GBRGNERCXLWGQU-UHNVWZDZSA-N |