TL;DR: N-(pyrrolidin-1-ylcarbonyl)isoleucine (CAS 1526903-17-2) is a chemical compound with molecular formula C11H20N2O3 and molecular weight 228.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
Also Known As: N-(pyrrolidin-1-ylcarbonyl)isoleucine, 3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid, 3-methyl-2-[(pyrrolidine-1-carbonyl)amino]pentanoic acid
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.1474 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.1474 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CCC(C)C(C(=O)O)NC(=O)N1CCCC1 |
| InChIKey | KTOQGKOUGRAJPY-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(pyrrolidin-1-ylcarbonyl)isoleucine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(pyrrolidin-1-ylcarbonyl)isoleucine. Following Lipinski's Rule of Five, N-(pyrrolidin-1-ylcarbonyl)isoleucine has 2 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 N-(pyrrolidin-1-ylcarbonyl)isoleucine is 1526903-17-2.
The molecular formula of N-(pyrrolidin-1-ylcarbonyl)isoleucine is C11H20N2O3.
The molecular weight of N-(pyrrolidin-1-ylcarbonyl)isoleucine is 228.1474 g/mol.
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