TL;DR: [(Pyridine-3-carbonyl)-amino]-acetic acid ethyl ester (CAS 1158434-65-1) is a chemical compound with molecular formula C10H13ClN2O3 and molecular weight 244.06146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(pyridine-3-carbonylamino)acetate;hydrochloride
Also Known As: ethyl 2-(nicotinamido)acetate hydrochloride, [(Pyridine-3-carbonyl)-amino]-acetic acid ethyl ester, ethyl 2-(pyridine-3-carbonylamino)acetate;hydrochloride
| Molecular Formula | C10H13ClN2O3 |
| Molecular Weight | 244.06146 g/mol |
| XLogP | 0.7963 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.06146 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| SMILES | CCOC(=O)CNC(=O)C1=CN=CC=C1.Cl |
| InChIKey | GUOGRNONOKZNBO-UHFFFAOYSA-N |
The XLogP value of 0.7963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Pyridine-3-carbonyl)-amino]-acetic acid ethyl ester. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Pyridine-3-carbonyl)-amino]-acetic acid ethyl ester. Following Lipinski's Rule of Five, [(Pyridine-3-carbonyl)-amino]-acetic acid ethyl ester 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 [(Pyridine-3-carbonyl)-amino]-acetic acid ethyl ester is 1158434-65-1.
The molecular formula of [(Pyridine-3-carbonyl)-amino]-acetic acid ethyl ester is C10H13ClN2O3.
The molecular weight of [(Pyridine-3-carbonyl)-amino]-acetic acid ethyl ester is 244.06146 g/mol.
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