TL;DR: (1R,4r)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxylic acid (CAS 1173673-83-0) is a chemical compound with molecular formula C18H32N2O5 and molecular weight 356.2311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]cyclohexane-1-carboxylic acid
Also Known As: (1R,4r)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxylic acid, 4-[[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C18H32N2O5 |
| Molecular Weight | 356.2311 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.2311 Da |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
| SMILES | CC(C)[C@H](C(=O)NCC1CCC(CC1)C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | IEOLDSBHYKJJDA-JXQTWKCFSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,4r)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxylic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,4r)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, (1R,4r)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxylic acid has 3 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 (1R,4r)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxylic acid is 1173673-83-0.
The molecular formula of (1R,4r)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxylic acid is C18H32N2O5.
The molecular weight of (1R,4r)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxylic acid is 356.2311 g/mol.
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