TL;DR: N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine (CAS 112603-82-4) is a chemical compound with molecular formula C19H26N2O2 and molecular weight 314.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
Also Known As: Suam 1221, N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine, 4-Phenylbutyryl-Pro-pyrrolidine, 4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one, N-[N-(gamma-phenyl)butyryl-L-prolyl]pyrrolidine
| Molecular Formula | C19H26N2O2 |
| Molecular Weight | 314.19943 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.19943 Da |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
| SMILES | C1CCN(C1)C(=O)[C@@H]2CCCN2C(=O)CCCC3=CC=CC=C3 |
| InChIKey | HDRSLHFTJYMQIL-KRWDZBQOSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine. With a topological polar surface area (TPSA) of 40.6 Ų, N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine is 112603-82-4.
The molecular formula of N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine is C19H26N2O2.
The molecular weight of N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine is 314.19943 g/mol.
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