TL;DR: Ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate (CAS 500772-60-1) is a chemical compound with molecular formula C13H19NO5 and molecular weight 269.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate
Also Known As: Ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate
| Molecular Formula | C13H19NO5 |
| Molecular Weight | 269.1263 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.1263 Da |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
| SMILES | CCOC(=O)C(C1=C(C(=C(C=C1)OC)OC)OC)N |
| InChIKey | HAYCGJWOHJXVIV-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate. Following Lipinski's Rule of Five, Ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate has 1 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 Ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate is 500772-60-1.
The molecular formula of Ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate is C13H19NO5.
The molecular weight of Ethyl 2-amino-2-(2,3,4-trimethoxyphenyl)acetate is 269.1263 g/mol.
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