TL;DR: 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid (CAS 114873-10-8) is a chemical compound with molecular formula C14H18FNO4 and molecular weight 283.12198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: BOC-D-2-Fluorophe, Boc-Phe(3-F)-OH, BOC-D-3-Fluorophe, Boc-3-fluoro-D-phenylalanine, Boc-L-3-Fluorophenylalanine
| Molecular Formula | C14H18FNO4 |
| Molecular Weight | 283.12198 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.12198 Da |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)F)C(=O)O |
| InChIKey | FPCCREICRYPTTL-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid. Following Lipinski's Rule of Five, 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid 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 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid is 114873-10-8.
The molecular formula of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid is C14H18FNO4.
The molecular weight of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid is 283.12198 g/mol.
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