TL;DR: (4R)-1-N-Boc-4-Benzyl-D-proline (CAS 1233518-18-7) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,4R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Also Known As: (4R)-1-N-Boc-4-Benzyl-D-proline, (4R)-1-Boc-4-Benzyl-D-proline, (4R)-4-Benzyl-1-(tert-butoxycarbonyl)-D-proline, (2R,4R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, (2R,4R)-4-Benzyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
| Molecular Formula | C17H23NO4 |
| Molecular Weight | 305.16272 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.16272 Da |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)O)CC2=CC=CC=C2 |
| InChIKey | JPNHKKRLLDYCIZ-ZIAGYGMSSA-N |
The XLogP value of 3.1 indicates that (4R)-1-N-Boc-4-Benzyl-D-proline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4R)-1-N-Boc-4-Benzyl-D-proline. Following Lipinski's Rule of Five, (4R)-1-N-Boc-4-Benzyl-D-proline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4R)-1-N-Boc-4-Benzyl-D-proline is 1233518-18-7.
The molecular formula of (4R)-1-N-Boc-4-Benzyl-D-proline is C17H23NO4.
The molecular weight of (4R)-1-N-Boc-4-Benzyl-D-proline is 305.16272 g/mol.
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