TL;DR: 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid (CAS 1096687-20-5) is a chemical compound with molecular formula C19H26N2O6 and molecular weight 378.17908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-3,3-dimethyl-4-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic acid
Also Known As: 2-hydroxy-3,3-dimethyl-4-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic Acid, 4-({1-[(benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid, 4-(1-((benzyloxy)carbonyl)pyrrolidine-2-carboxamido)-2-hydroxy-3,3-dimethylbutanoic acid
| Molecular Formula | C19H26N2O6 |
| Molecular Weight | 378.17908 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.17908 Da |
| Heavy Atoms | 27 |
| Complexity | 544.0 |
| SMILES | CC(C)(CNC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2)C(C(=O)O)O |
| InChIKey | QESQQIFTARZLCW-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid. Following Lipinski's Rule of Five, 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid has 3 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 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid is 1096687-20-5.
The molecular formula of 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid is C19H26N2O6.
The molecular weight of 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid is 378.17908 g/mol.
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