TL;DR: methyl N-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-leucinate (CAS 1173685-98-7) is a chemical compound with molecular formula C15H28N2O3 and molecular weight 284.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoate
Also Known As: methyl N-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-leucinate, (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-4-methylpentanoate, methyl (2S)-2-[[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoate
| Molecular Formula | C15H28N2O3 |
| Molecular Weight | 284.21 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.21 Da |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
| SMILES | C[C@@H]1C[C@@H](CN(C1)C(=O)N[C@@H](CC(C)C)C(=O)OC)C |
| InChIKey | RQCBJDLDUDPEQJ-XQQFMLRXSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-leucinate. With a topological polar surface area (TPSA) of 58.6 Ų, methyl N-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-leucinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-leucinate 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 methyl N-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-leucinate is 1173685-98-7.
The molecular formula of methyl N-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-leucinate is C15H28N2O3.
The molecular weight of methyl N-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}-L-leucinate is 284.21 g/mol.
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