TL;DR: (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid (CAS 108999-93-5) is a chemical compound with molecular formula C11H17NO4 and molecular weight 227.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic acid
Also Known As: (1R,4S)-4-((tert-Butoxycarbonyl)amino)cyclopent-2-enecarboxylic acid, Name: Boc-L-AcPEC, Peramivir Impurity 24, G00035-Watson-Int, (1R,4S)-Boc-4-aminocyclopent-2-ene-carboxylic acid
| Molecular Formula | C11H17NO4 |
| Molecular Weight | 227.11575 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.11575 Da |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H]1C[C@H](C=C1)C(=O)O |
| InChIKey | WOUNTSATDZJBLP-JGVFFNPUSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid. Following Lipinski's Rule of Five, (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-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 (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid is 108999-93-5.
The molecular formula of (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid is C11H17NO4.
The molecular weight of (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid is 227.11575 g/mol.
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