TL;DR: 2-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid (CAS 1023865-42-0) is a chemical compound with molecular formula C20H26N2O5 and molecular weight 374.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 2-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid, 3-({2-[2-(3,5-dimethylphenoxy)propanoyl]hydrazinyl}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-(2-(2-(3,5-dimethylphenoxy)propanoyl)hydrazinecarbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-{N-[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl}bicyclo[2.2.1]heptane-2- carboxylic acid, 6-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-5-carboxylic Acid
| Molecular Formula | C20H26N2O5 |
| Molecular Weight | 374.18417 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.18417 Da |
| Heavy Atoms | 27 |
| Complexity | 585.0 |
| SMILES | CC1=CC(=CC(=C1)OC(C)C(=O)NNC(=O)C2C3CCC(C3)C2C(=O)O)C |
| InChIKey | ZGVGHJUYTKSFHT-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid is 1023865-42-0.
The molecular formula of 2-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid is C20H26N2O5.
The molecular weight of 2-[[2-(3,5-dimethylphenoxy)propanoylamino]carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid is 374.18417 g/mol.
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