3-{[rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methyl}benzoic acid
Chemical Structure Depiction of
3-{[rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methyl}benzoic acid
3-{[rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | S839-0103 |
| Compound Name: | 3-{[rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-(2-methylpropanoyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methyl}benzoic acid |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C22 H28 N4 O4 |
| Smiles: | CC(C)C(N1CC[C@H]2CN(Cc3cccc(c3)C(O)=O)C[C@]2(C1)c1nc(C)no1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4611 |
| logD: | 2.4611 |
| logSw: | -2.2974 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.484 |
| InChI Key: | OEVCQYSGFLFYNF-PGRDOPGGSA-N |