TL;DR: Prolylisoleucine (CAS 51926-51-3) 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.
(2S,3R)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
Also Known As: Prolylisoleucine, Pro-ile, N-L-Prolyl-L-isoleucine, l-prolyl-l-isoleucine, L-Isoleucine, N-L-prolyl-
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.1474 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.1474 Da |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
| SMILES | CC[C@@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1 |
| InChIKey | OCYROESYHWUPBP-VGMNWLOBSA-N |
The XLogP value of -2.6 indicates that Prolylisoleucine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Prolylisoleucine. Following Lipinski's Rule of Five, Prolylisoleucine has 3 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 Prolylisoleucine is 51926-51-3.
The molecular formula of Prolylisoleucine is C11H20N2O3.
The molecular weight of Prolylisoleucine is 228.1474 g/mol.
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