TL;DR: 4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclopent-2-ene-1-carboxylate (CAS 151907-79-8) is a chemical compound with molecular formula C11H16NO4- and molecular weight 226.10793 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-carboxylate
Also Known As: I06-1375, (1S,4R)-N-BOC-4-Aminocyclopent-2-enecarboxylic acid, (1S,4R)-N-Boc-1-aminocyclopent-2-ene-4-carboxylicacid, (1S,4R)-(?)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid, (1R,4S)-4-((tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylate
| Molecular Formula | C11H16NO4- |
| Molecular Weight | 226.10793 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.10793 Da |
| Heavy Atoms | 16 |
| Complexity | 311.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H]1C[C@H](C=C1)C(=O)[O-] |
| InChIKey | WOUNTSATDZJBLP-JGVFFNPUSA-M |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclopent-2-ene-1-carboxylate. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclopent-2-ene-1-carboxylate. Following Lipinski's Rule of Five, 4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclopent-2-ene-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 4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclopent-2-ene-1-carboxylate is 151907-79-8.
The molecular formula of 4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclopent-2-ene-1-carboxylate is C11H16NO4-.
The molecular weight of 4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclopent-2-ene-1-carboxylate is 226.10793 g/mol.
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