TL;DR: (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)propanoic acid (CAS 1217755-81-1) is a chemical compound with molecular formula C14H20N2O5 and molecular weight 296.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-(6-methoxy-3-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: (S)-3-((tert-Butoxycarbonyl)amino)-3-(6-methoxypyridin-3-yl)propanoic acid, 4087AA, Boc-D-Pyg{3(6-OMe)}-(C#CH2)OH, Boc-(S)-3-amino-3-(6-methoxy-3-pyridyl)-propionic acid, A-7939
| Molecular Formula | C14H20N2O5 |
| Molecular Weight | 296.1372 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.1372 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CN=C(C=C1)OC |
| InChIKey | WAZLXMQVYNXDQH-JTQLQIEISA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)propanoic acid. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)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 (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)propanoic acid is 1217755-81-1.
The molecular formula of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)propanoic acid is C14H20N2O5.
The molecular weight of (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(6-methoxypyridin-3-yl)propanoic acid is 296.1372 g/mol.
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