TL;DR: 1-Carbamoyl-2,4-dimethyl-1,2-epoxy-3-hydroxy-1-(methoxycarbonyl)pentane (CAS 142438-73-1) is a chemical compound with molecular formula C10H17NO5 and molecular weight 231.11067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-carbamoyl-3-(1-hydroxy-2-methylpropyl)-3-methyloxirane-2-carboxylate
Also Known As: 1-Carbamoyl-2,4-dimethyl-1,2-epoxy-3-hydroxy-1-(methoxycarbonyl)pentane, methyl 2-carbamoyl-3-(1-hydroxy-2-methylpropyl)-3-methyloxirane-2-carboxylate, Oxiranecarboxylic acid, 2-(aminocarbonyl)-3-(1-hydroxy-2-methylpropyl)-3-methyl-, methyl ester, 1-CARBAMOYL-2,4-DIMETHYL-1,2-EPOXY-3-HYDROXY-1- PENTANE, Oxiranecarboxylic acid,2-(aminocarbonyl)-3-(1-hydroxy-2-methylpropyl)-3-methyl-, methyl ester (9CI)
| Molecular Formula | C10H17NO5 |
| Molecular Weight | 231.11067 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.11067 Da |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
| SMILES | CC(C)C(C1(C(O1)(C(=O)N)C(=O)OC)C)O |
| InChIKey | IHZRQZDNRNIBGT-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that 1-Carbamoyl-2,4-dimethyl-1,2-epoxy-3-hydroxy-1-(methoxycarbonyl)pentane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carbamoyl-2,4-dimethyl-1,2-epoxy-3-hydroxy-1-(methoxycarbonyl)pentane. Following Lipinski's Rule of Five, 1-Carbamoyl-2,4-dimethyl-1,2-epoxy-3-hydroxy-1-(methoxycarbonyl)pentane 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 1-Carbamoyl-2,4-dimethyl-1,2-epoxy-3-hydroxy-1-(methoxycarbonyl)pentane is 142438-73-1.
The molecular formula of 1-Carbamoyl-2,4-dimethyl-1,2-epoxy-3-hydroxy-1-(methoxycarbonyl)pentane is C10H17NO5.
The molecular weight of 1-Carbamoyl-2,4-dimethyl-1,2-epoxy-3-hydroxy-1-(methoxycarbonyl)pentane is 231.11067 g/mol.
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