TL;DR: 2-(3-Hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid (CAS 1026741-71-8) is a chemical compound with molecular formula C14H20N2O5 and molecular weight 296.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid
Also Known As: 2-(3-hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid, F1124-0045, 2-((3-hydroxypropyl)amino)-4-((2-methoxyphenyl)amino)-4-oxobutanoic acid, 2-(3-hydroxypropylamino)-3-[(2-methoxyphenyl)carbamoyl]propanoic Acid, 2-[(3-hydroxypropyl)amino]-3-[N-(2-methoxyphenyl)carbamoyl]propanoic acid
| Molecular Formula | C14H20N2O5 |
| Molecular Weight | 296.1372 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 296.1372 Da |
| Heavy Atoms | 21 |
| Complexity | 337.0 |
| SMILES | COC1=CC=CC=C1NC(=O)CC(C(=O)O)NCCCO |
| InChIKey | NFQVLTFXOOHQTN-UHFFFAOYSA-N |
The XLogP value of -1.9 indicates that 2-(3-Hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(3-Hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3-Hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid is 1026741-71-8.
The molecular formula of 2-(3-Hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid is C14H20N2O5.
The molecular weight of 2-(3-Hydroxypropylamino)-4-(2-methoxyanilino)-4-oxobutanoic acid is 296.1372 g/mol.
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