TL;DR: (3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CAS 1366264-86-9) is a chemical compound with molecular formula C15H20FNO5 and molecular weight 313.13254 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: (3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-fluoro-4-methoxyphenyl)propanoic acid, (3S)-3-(3-fluoro-4-methoxy-phenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, (R)-3-((tert-Butoxycarbonyl)amino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
| Molecular Formula | C15H20FNO5 |
| Molecular Weight | 313.13254 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.13254 Da |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC(=O)O)C1=CC(=C(C=C1)OC)F |
| InChIKey | HPWOEUIFPHCWMH-LLVKDONJSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. Following Lipinski's Rule of Five, (3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is 1366264-86-9.
The molecular formula of (3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is C15H20FNO5.
The molecular weight of (3R)-3-(3-fluoro-4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is 313.13254 g/mol.
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