TL;DR: (3R,4R)-4-(Benzyloxy)-3-((tert-butoxycarbonyl)amino)pentanoic acid (CAS 1217740-60-7) is a chemical compound with molecular formula C17H25NO5 and molecular weight 323.17328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxypentanoic acid
Also Known As: (3R,4R)-4-(Benzyloxy)-3-((tert-butoxycarbonyl)amino)pentanoic acid, Boc-L-beta-homothreonine(OBzl), Boc-, A-Homothr(Bzl)-OH, Boc-beta-Homothr(Bzl)-OH
| Molecular Formula | C17H25NO5 |
| Molecular Weight | 323.17328 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.17328 Da |
| Heavy Atoms | 23 |
| Complexity | 385.0 |
| SMILES | C[C@H]([C@@H](CC(=O)O)NC(=O)OC(C)(C)C)OCC1=CC=CC=C1 |
| InChIKey | FYZBABHQLFFCHH-TZMCWYRMSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,4R)-4-(Benzyloxy)-3-((tert-butoxycarbonyl)amino)pentanoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4R)-4-(Benzyloxy)-3-((tert-butoxycarbonyl)amino)pentanoic acid. Following Lipinski's Rule of Five, (3R,4R)-4-(Benzyloxy)-3-((tert-butoxycarbonyl)amino)pentanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3R,4R)-4-(Benzyloxy)-3-((tert-butoxycarbonyl)amino)pentanoic acid is 1217740-60-7.
The molecular formula of (3R,4R)-4-(Benzyloxy)-3-((tert-butoxycarbonyl)amino)pentanoic acid is C17H25NO5.
The molecular weight of (3R,4R)-4-(Benzyloxy)-3-((tert-butoxycarbonyl)amino)pentanoic acid is 323.17328 g/mol.
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