TL;DR: tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate (CAS 1330763-64-8) is a chemical compound with molecular formula C11H20N2O2 and molecular weight 212.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
Also Known As: tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate, (3aR,6aR)-rel-tert-Butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate, (3AR,6aR)-tert-butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate, (3aR,6aR)-2-Boc-octahydropyrrolo[3,4-c]pyrrole, trans-2-Boc-hexahydro-pyrrolo[3,4-c]pyrrole
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.15248 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.15248 Da |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H]2CNC[C@@H]2C1 |
| InChIKey | FYUVLZRRIRGSTE-RKDXNWHRSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate. With a topological polar surface area (TPSA) of 41.6 Ų, tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is 1330763-64-8.
The molecular formula of tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is C11H20N2O2.
The molecular weight of tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is 212.15248 g/mol.
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