TL;DR: ethyl (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate (CAS 159328-48-0) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
Also Known As: J3.126.177E, ethyl (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate, (alphaR,betaS)-alpha-Hydroxy-beta-(benzyloxycarbonylamino)benzenepropanoic acid ethyl ester, Ethyl (2R,3R)-2-hydroxy-3-phenyl-3-phenylmethoxycarbonylamino-propanoate, Ethyl (I+/-R,I(2)S)-I+/--hydroxy-I(2)-[[(phenylmethoxy)carbonyl]amino]benzenepropanoate
| Molecular Formula | C19H21NO5 |
| Molecular Weight | 343.14197 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.14197 Da |
| Heavy Atoms | 25 |
| Complexity | 416.0 |
| SMILES | CCOC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O |
| InChIKey | HZDKMGNFWBZGEY-DLBZAZTESA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate. Following Lipinski's Rule of Five, ethyl (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate 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 ethyl (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate is 159328-48-0.
The molecular formula of ethyl (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate is C19H21NO5.
The molecular weight of ethyl (2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoate is 343.14197 g/mol.
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