rel-(6R,7aS)-2-(butan-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7aS)-2-(butan-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7aS)-2-(butan-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 6283-0241 |
| Compound Name: | rel-(6R,7aS)-2-(butan-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 251.28 |
| Molecular Formula: | C13 H17 N O4 |
| Smiles: | CCC(C)N1C[C@]23C=C[C@H](C(C(O)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0171 |
| logD: | -1.2043 |
| logSw: | -0.8936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.698 |
| InChI Key: | XTVCCEKQOMHQJX-RMLODFAYSA-N |