TL;DR: (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic Acid (CAS 1212268-91-1) is a chemical compound with molecular formula C15H19FN2O5S and molecular weight 358.09988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic acid
Also Known As: (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic Acid, (2S)-2-{[1-(4-FLUOROBENZENESULFONYL)PIPERIDIN-4-YL]FORMAMIDO}PROPANOIC ACID, N-({1-[(4-fluorophenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-alanine, (1-((4-Fluorophenyl)sulfonyl)piperidine-4-carbonyl)-L-alanine, N-[1-(4-fluorobenzene-1-sulfonyl)piperidine-4-carbonyl]-L-alanine
| Molecular Formula | C15H19FN2O5S |
| Molecular Weight | 358.09988 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.09988 Da |
| Heavy Atoms | 24 |
| Complexity | 561.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | RIAGHMBGHWDNPV-JTQLQIEISA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic Acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic Acid. Following Lipinski's Rule of Five, (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic Acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic Acid is 1212268-91-1.
The molecular formula of (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic Acid is C15H19FN2O5S.
The molecular weight of (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic Acid is 358.09988 g/mol.
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