rel-(6R,7R,7aS)-2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7R,7aS)-2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | C429-0379 |
| Compound Name: | rel-(6R,7R,7aS)-2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C17 H22 N2 O6 |
| Smiles: | CCOC(N1CCC(CC1)N1C[C@]23C=C[C@H]([C@H](C(O)=O)[C@@H]2C1=O)O3)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9221 |
| logD: | -1.2993 |
| logSw: | -0.8383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.123 |
| InChI Key: | LAQBVXSPDDEIAL-JCGRNLFESA-N |