TL;DR: 3-[N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]propanoic acid (CAS 1212448-34-4) is a chemical compound with molecular formula C14H23NO3 and molecular weight 253.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butanoic acid
Also Known As: IFLab1_003881, 3-(N-2-bornanylcarbamoyl)propionic acid, VU0494046-1, F0848-0082, 3-[N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]propanoic acid
| Molecular Formula | C14H23NO3 |
| Molecular Weight | 253.1678 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.1678 Da |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
| SMILES | CC1(C2CCC1(C(C2)NC(=O)CCC(=O)O)C)C |
| InChIKey | LORGYLUHSAMZCG-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]propanoic acid. Following Lipinski's Rule of Five, 3-[N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]propanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]propanoic acid is 1212448-34-4.
The molecular formula of 3-[N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]propanoic acid is C14H23NO3.
The molecular weight of 3-[N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]propanoic acid is 253.1678 g/mol.
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