TL;DR: 2-[2-(4-Bromophenoxy)acetylamino]propanoic acid (CAS 1397001-83-0) is a chemical compound with molecular formula C11H12BrNO4 and molecular weight 300.99496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid
Also Known As: 2-(2-(4-bromophenoxy)acetamido)propanoic acid, 2-[2-(4-bromophenoxy)acetylamino]propanoic acid, AB00087164-01, 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid, 2-[2-(4-Bromo-phenoxy)-acetylamino]-propionic acid
| Molecular Formula | C11H12BrNO4 |
| Molecular Weight | 300.99496 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.99496 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | CC(C(=O)O)NC(=O)COC1=CC=C(C=C1)Br |
| InChIKey | MAJFQXLXQDSVCT-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Bromophenoxy)acetylamino]propanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Bromophenoxy)acetylamino]propanoic acid. Following Lipinski's Rule of Five, 2-[2-(4-Bromophenoxy)acetylamino]propanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[2-(4-Bromophenoxy)acetylamino]propanoic acid is 1397001-83-0.
The molecular formula of 2-[2-(4-Bromophenoxy)acetylamino]propanoic acid is C11H12BrNO4.
The molecular weight of 2-[2-(4-Bromophenoxy)acetylamino]propanoic acid is 300.99496 g/mol.
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