TL;DR: 1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)- (CAS 1217805-48-5) is a chemical compound with molecular formula C18H24NO4- and molecular weight 318.17053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-phenylethyl)pyrrolidine-2-carboxylate
Also Known As: 1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)-, (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenethylpyrrolidine-2-carboxylate
| Molecular Formula | C18H24NO4- |
| Molecular Weight | 318.17053 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.17053 Da |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CCC2=CC=CC=C2)C(=O)[O-] |
| InChIKey | URLLHYVBNNPLET-SFHVURJKSA-M |
The XLogP value of 4.0 indicates that 1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)-. Following Lipinski's Rule of Five, 1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)- has 0 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 1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)- is 1217805-48-5.
The molecular formula of 1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)- is C18H24NO4-.
The molecular weight of 1,2-Pyrrolidinedicarboxylic acid, 2-(2-phenylethyl)-, 1-(1,1-dimethylethyl) ester, (2R)- is 318.17053 g/mol.
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