TL;DR: 1-Methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione (CAS 1008253-57-3) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
Also Known As: 1-methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione, 1-methyl-3-[(phenylethyl)amino]azolidine-2,5-dione, 1-methyl-3-[(1-phenylethyl)amino]pyrrolidine-2,5-dione
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.12119 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 Da |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
| SMILES | CC(C1=CC=CC=C1)NC2CC(=O)N(C2=O)C |
| InChIKey | OTIMFDDQWBRHNR-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione 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 1-Methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione is 1008253-57-3.
The molecular formula of 1-Methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione is C13H16N2O2.
The molecular weight of 1-Methyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione is 232.12119 g/mol.
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