rel-(6R,7R,7aS)-2-ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7R,7aS)-2-ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 6228-0877 |
| Compound Name: | rel-(6R,7R,7aS)-2-ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 223.23 |
| Molecular Formula: | C11 H13 N O4 |
| Smiles: | CCN1C[C@]23C=C[C@H]([C@H](C(O)=O)[C@@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0786 |
| logD: | -2.1428 |
| logSw: | -0.3826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.952 |
| InChI Key: | MIHCRRSFJZJEPF-UVMAFCGOSA-N |