TL;DR: 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid (CAS 1005087-90-0) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-{[(3,3,5-trimethylcyclohexyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-((3,3,5-Trimethylcyclohexyl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[N-(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carbox ylic acid
| Molecular Formula | C17H27NO4 |
| Molecular Weight | 309.194 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.194 Da |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
| SMILES | CC1CC(CC(C1)(C)C)NC(=O)C2C3CCC(C2C(=O)O)O3 |
| InChIKey | GDYZQHMAUYZCAF-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-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 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is 1005087-90-0.
The molecular formula of 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is C17H27NO4.
The molecular weight of 2-[(3,3,5-trimethylcyclohexyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid is 309.194 g/mol.
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