3-[rel-(3aR,7aS)-5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[rel-(3aR,7aS)-5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]propanoic acid
3-[rel-(3aR,7aS)-5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 2765-0262 |
| Compound Name: | 3-[rel-(3aR,7aS)-5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]propanoic acid |
| Molecular Weight: | 257.67 |
| Molecular Formula: | C11 H12 Cl N O4 |
| Smiles: | C(CN1C([C@H]2CC=C(C[C@H]2C1=O)[Cl])=O)C(O)=O |
| Stereo: | RELATIVE |
| logP: | 0.0263 |
| logD: | -2.5063 |
| logSw: | -1.921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.317 |
| InChI Key: | MZEUGDZGVVPJBH-JGVFFNPUSA-N |