TL;DR: 2-[3-(4-Iodophenyl)propanoylamino]acetic acid (CAS 147949-92-6) is a chemical compound with molecular formula C11H12INO3 and molecular weight 332.98618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-iodophenyl)propanoylamino]acetic acid
Also Known As: N-(3-(4-iodophenyl)propionyl)glycine, 2-(3-(4-iodophenyl)propanamido)acetic acid, 2-[3-(4-iodophenyl)propanoylamino]acetic Acid
| Molecular Formula | C11H12INO3 |
| Molecular Weight | 332.98618 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.98618 Da |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
| SMILES | C1=CC(=CC=C1CCC(=O)NCC(=O)O)I |
| InChIKey | WVHKYDYBTSIFIQ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-Iodophenyl)propanoylamino]acetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Iodophenyl)propanoylamino]acetic acid. Following Lipinski's Rule of Five, 2-[3-(4-Iodophenyl)propanoylamino]acetic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[3-(4-Iodophenyl)propanoylamino]acetic acid is 147949-92-6.
The molecular formula of 2-[3-(4-Iodophenyl)propanoylamino]acetic acid is C11H12INO3.
The molecular weight of 2-[3-(4-Iodophenyl)propanoylamino]acetic acid is 332.98618 g/mol.
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