TL;DR: [(1-Cyanocyclopentyl)carbamoyl]methyl 1-phenylcyclopropane-1-carboxylate (CAS 1252344-26-5) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
Also Known As: [(1-cyanocyclopentyl)carbamoyl]methyl 1-phenylcyclopropane-1-carboxylate|[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate|EN300-26685321|Z24772592
| Molecular Formula | C18H20N2O3 |
| Molecular Weight | 312.1474 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.1474 Da |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
| SMILES | C1CCC(C1)(C#N)NC(=O)COC(=O)C2(CC2)C3=CC=CC=C3 |
| InChIKey | FNDXCZXPFWHEGN-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclopentyl)carbamoyl]methyl 1-phenylcyclopropane-1-carboxylate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclopentyl)carbamoyl]methyl 1-phenylcyclopropane-1-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclopentyl)carbamoyl]methyl 1-phenylcyclopropane-1-carboxylate has 1 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 [(1-Cyanocyclopentyl)carbamoyl]methyl 1-phenylcyclopropane-1-carboxylate is 1252344-26-5.
The molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 1-phenylcyclopropane-1-carboxylate is C18H20N2O3.
The molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 1-phenylcyclopropane-1-carboxylate is 312.1474 g/mol.
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