TL;DR: (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)propanoic acid (CAS 1173668-58-0) is a chemical compound with molecular formula C20H28N2O5 and molecular weight 376.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]propanoic acid
Also Known As: (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)propanoic acid, (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]propanoic acid, 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidine-4-carbonyl]amino]propanoic Acid
| Molecular Formula | C20H28N2O5 |
| Molecular Weight | 376.19983 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.19983 Da |
| Heavy Atoms | 27 |
| Complexity | 555.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C2=CC=CC=C2 |
| InChIKey | IOZCMLNKCHMITF-AWEZNQCLSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)propanoic acid. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)propanoic acid. Following Lipinski's Rule of Five, (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)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 (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)propanoic acid is 1173668-58-0.
The molecular formula of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)propanoic acid is C20H28N2O5.
The molecular weight of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)propanoic acid is 376.19983 g/mol.
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