TL;DR: (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid (CAS 1391474-72-8) is a chemical compound with molecular formula C15H18ClNO4 and molecular weight 311.09244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
Also Known As: (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid, (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxohexahydro-3-pyridinecarboxylic acid, (2R,3R)-2-(2-Chloro-phenyl)-1-(2-methoxy-ethyl)-6-oxo-piperidine-3-carboxylic acid, (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxo-piperidine-3-carboxylic Acid, (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylicacid
| Molecular Formula | C15H18ClNO4 |
| Molecular Weight | 311.09244 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.09244 Da |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
| SMILES | COCCN1[C@@H]([C@H](CCC1=O)C(=O)O)C2=CC=CC=C2Cl |
| InChIKey | FOOHABSZVAISCF-SMDDNHRTSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid. Following Lipinski's Rule of Five, (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid is 1391474-72-8.
The molecular formula of (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid is C15H18ClNO4.
The molecular weight of (2S,3S)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid is 311.09244 g/mol.
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