3-[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]benzoic acid
Chemical Structure Depiction of
3-[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]benzoic acid
3-[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]benzoic acid
Compound characteristics
| Compound ID: | S839-0142 |
| Compound Name: | 3-[rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carbonyl]benzoic acid |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C22 H28 N4 O4 |
| Smiles: | CC(C)CN1CC[C@H]2CN(C[C@]2(C1)c1nc(C)no1)C(c1cccc(c1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4902 |
| logD: | 2.4902 |
| logSw: | -2.2906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.484 |
| InChI Key: | FAEQPQIFXNKFIH-PGRDOPGGSA-N |