TL;DR: (3R)-1-[(benzyloxy)carbonyl]pyrrolidin-3-aminium (CAS 122536-73-6) is a chemical compound with molecular formula C12H17N2O2+ and molecular weight 221.129 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]azanium
Also Known As: (R)-N-Cbz-3-aminopyrrolidine, (R)-1-Cbz-3-aminopyrrolidine, (r)-benzyl pyrrolidin-3-ylcarbamate, 1-[(Benzyloxy)carbonyl]pyrrolidin-3-aminium, (3R)-1-[(benzyloxy)carbonyl]pyrrolidin-3-aminium
| Molecular Formula | C12H17N2O2+ |
| Molecular Weight | 221.129 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.129 Da |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
| SMILES | C1CN(C[C@@H]1[NH3+])C(=O)OCC2=CC=CC=C2 |
| InChIKey | FPXJNSKAXZNWMQ-LLVKDONJSA-O |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-1-[(benzyloxy)carbonyl]pyrrolidin-3-aminium. With a topological polar surface area (TPSA) of 57.2 Ų, (3R)-1-[(benzyloxy)carbonyl]pyrrolidin-3-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R)-1-[(benzyloxy)carbonyl]pyrrolidin-3-aminium has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3R)-1-[(benzyloxy)carbonyl]pyrrolidin-3-aminium is 122536-73-6.
The molecular formula of (3R)-1-[(benzyloxy)carbonyl]pyrrolidin-3-aminium is C12H17N2O2+.
The molecular weight of (3R)-1-[(benzyloxy)carbonyl]pyrrolidin-3-aminium is 221.129 g/mol.
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