TL;DR: (2R,3R)-rel-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-phenylpropanoic acid (CAS 578717-40-5) is a chemical compound with molecular formula C14H19NO5 and molecular weight 281.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
Also Known As: Boc-erythro-beta-phenylserine, Boc-erythro-ss-phenylserine, Boc-erythro-beta-phenyl-Ser-OH, BOC-ERYTHRO-B-PHENYLSERINE, (2R,3R)-rel-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-phenylpropanoic acid
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.1263 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.1263 Da |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H]([C@@H](C1=CC=CC=C1)O)C(=O)O |
| InChIKey | NONUVMOXNPGTBK-GHMZBOCLSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3R)-rel-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-phenylpropanoic acid. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3R)-rel-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (2R,3R)-rel-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-phenylpropanoic acid has 3 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 (2R,3R)-rel-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-phenylpropanoic acid is 578717-40-5.
The molecular formula of (2R,3R)-rel-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-phenylpropanoic acid is C14H19NO5.
The molecular weight of (2R,3R)-rel-2-((tert-Butoxycarbonyl)amino)-3-hydroxy-3-phenylpropanoic acid is 281.1263 g/mol.
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