TL;DR: (2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CAS 114873-11-9) is a chemical compound with molecular formula C14H17FNO4- and molecular weight 282.11417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-3-fluoro-D-phenylalanine, (2R)-2-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)propanoate, (2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula | C14H17FNO4- |
| Molecular Weight | 282.11417 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.11417 Da |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC(=CC=C1)F)C(=O)[O-] |
| InChIKey | FPCCREICRYPTTL-LLVKDONJSA-M |
The XLogP value of 3.3 indicates that (2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. Following Lipinski's Rule of Five, (2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has 1 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)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is 114873-11-9.
The molecular formula of (2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C14H17FNO4-.
The molecular weight of (2R)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is 282.11417 g/mol.
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