TL;DR: 3-({[3-(methoxycarbonyl)phenyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CAS 1005103-10-5) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-methoxycarbonylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-({[3-(methoxycarbonyl)phenyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[3-(methoxycarbonyl)anilino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[3-(methoxycarbonyl)phenyl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid, bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[[3-(methoxycarbonyl)phenyl]amino]carbonyl]-, 2-[(3-methoxycarbonylphenyl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid
| Molecular Formula | C17H19NO5 |
| Molecular Weight | 317.1263 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1263 Da |
| Heavy Atoms | 23 |
| Complexity | 505.0 |
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)C2C3CCC(C3)C2C(=O)O |
| InChIKey | QAHYPGXGLUCIJJ-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[3-(methoxycarbonyl)phenyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[3-(methoxycarbonyl)phenyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-({[3-(methoxycarbonyl)phenyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid has 2 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 3-({[3-(methoxycarbonyl)phenyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid is 1005103-10-5.
The molecular formula of 3-({[3-(methoxycarbonyl)phenyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid is C17H19NO5.
The molecular weight of 3-({[3-(methoxycarbonyl)phenyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid is 317.1263 g/mol.
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