TL;DR: 2-[2-(4-Aminophenyl)acetylamino]-3-hydroxy-3-phenylpropanoic acid (CAS 1214708-42-5) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(4-aminophenyl)acetyl]amino]-3-hydroxy-3-phenylpropanoic acid
Also Known As: AE-641/01175008, 2-(2-(4-aminophenyl)acetamido)-3-hydroxy-3-phenylpropanoic acid, 2-[2-(4-aminophenyl)acetylamino]-3-hydroxy-3-phenylpropanoic acid, 2-[[2-(4-aminophenyl)acetyl]amino]-3-hydroxy-3-phenyl-propanoic Acid, 2-[[2-(4-aminophenyl)acetyl]amino]-3-hydroxy-3-phenylpropanoic acid
| Molecular Formula | C17H18N2O4 |
| Molecular Weight | 314.12665 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.12665 Da |
| Heavy Atoms | 23 |
| Complexity | 401.0 |
| SMILES | C1=CC=C(C=C1)C(C(C(=O)O)NC(=O)CC2=CC=C(C=C2)N)O |
| InChIKey | XPSLRJWOKDUUKO-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Aminophenyl)acetylamino]-3-hydroxy-3-phenylpropanoic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Aminophenyl)acetylamino]-3-hydroxy-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-[2-(4-Aminophenyl)acetylamino]-3-hydroxy-3-phenylpropanoic acid has 4 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 2-[2-(4-Aminophenyl)acetylamino]-3-hydroxy-3-phenylpropanoic acid is 1214708-42-5.
The molecular formula of 2-[2-(4-Aminophenyl)acetylamino]-3-hydroxy-3-phenylpropanoic acid is C17H18N2O4.
The molecular weight of 2-[2-(4-Aminophenyl)acetylamino]-3-hydroxy-3-phenylpropanoic acid is 314.12665 g/mol.
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