TL;DR: t-Butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate (CAS 135981-02-1) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate
Also Known As: t-Butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate, Hydroxylamine,O-[4-(4-fluorophenyl)butyl], tert-butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate, T-Butyl-3-amino-2-hydroxy-3-phenylpropanoate, Tert-butyl 3-amino-2-hydroxy-3-phenyl-propanoate
| Molecular Formula | C13H19NO3 |
| Molecular Weight | 237.13649 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.13649 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | CC(C)(C)OC(=O)[C@@H]([C@@H](C1=CC=CC=C1)N)O |
| InChIKey | FTDZKKASRJHWGD-GHMZBOCLSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for t-Butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate. Following Lipinski's Rule of Five, t-Butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate has 2 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 t-Butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate is 135981-02-1.
The molecular formula of t-Butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate is C13H19NO3.
The molecular weight of t-Butyl (2R,3R)-3-amino-2-hydroxy-3-phenylpropanoate is 237.13649 g/mol.
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