TL;DR: (2S,3R)-methyl 3-methyl-2-(piperidine-1-carboxamido)pentanoate (CAS 1491139-98-0) is a chemical compound with molecular formula C13H24N2O3 and molecular weight 256.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S,3R)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate
Also Known As: (2S,3R)-methyl 3-methyl-2-(piperidine-1-carboxamido)pentanoate, methyl (2S,3R)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate
| Molecular Formula | C13H24N2O3 |
| Molecular Weight | 256.17868 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.17868 Da |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
| SMILES | CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)N1CCCCC1 |
| InChIKey | CZAXIYXHMXDHJR-MNOVXSKESA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R)-methyl 3-methyl-2-(piperidine-1-carboxamido)pentanoate. With a topological polar surface area (TPSA) of 58.6 Ų, (2S,3R)-methyl 3-methyl-2-(piperidine-1-carboxamido)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,3R)-methyl 3-methyl-2-(piperidine-1-carboxamido)pentanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S,3R)-methyl 3-methyl-2-(piperidine-1-carboxamido)pentanoate is 1491139-98-0.
The molecular formula of (2S,3R)-methyl 3-methyl-2-(piperidine-1-carboxamido)pentanoate is C13H24N2O3.
The molecular weight of (2S,3R)-methyl 3-methyl-2-(piperidine-1-carboxamido)pentanoate is 256.17868 g/mol.
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