TL;DR: 3-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005153-57-0) is a chemical compound with molecular formula C16H24N2O4 and molecular weight 308.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid, 2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid, 3-((3-(2-oxopyrrolidin-1-yl)propyl)carbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-{N-[3-(2-oxopyrrolidinyl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid, 6-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]bicyclo[2.2.1]heptane-5-carboxylic Acid
| Molecular Formula | C16H24N2O4 |
| Molecular Weight | 308.1736 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.1736 Da |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
| SMILES | C1CC(=O)N(C1)CCCNC(=O)C2C3CCC(C3)C2C(=O)O |
| InChIKey | XQQWDSLGXLWIDO-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid has 2 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 3-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid is 1005153-57-0.
The molecular formula of 3-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid is C16H24N2O4.
The molecular weight of 3-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid is 308.1736 g/mol.
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