TL;DR: Ethyl 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate (CAS 1023873-00-8) is a chemical compound with molecular formula C14H18FN3O5 and molecular weight 327.12305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate
Also Known As: ethyl 3-({[2-(4-fluorophenoxy)acetohydrazido]carbonyl}amino)propanoate, Ethyl 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate, ethyl 3-[({2-[2-(4-fluorophenoxy)acetyl]hydrazino}carbonyl)amino]propanoate, ETHYL 3-((N-(2-(4-FLUOROPHENOXY)ACETYLAMINO)CARBAMOYL)AMINO)PROPANOATE, ethyl 3-((2-(2-(4-fluorophenoxy)acetyl)hydrazino)carbonylamino)propanoate
| Molecular Formula | C14H18FN3O5 |
| Molecular Weight | 327.12305 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.12305 Da |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
| SMILES | CCOC(=O)CCNC(=O)NNC(=O)COC1=CC=C(C=C1)F |
| InChIKey | CEUIESXZIWAYMY-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate has 3 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 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate is 1023873-00-8.
The molecular formula of Ethyl 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate is C14H18FN3O5.
The molecular weight of Ethyl 3-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoylamino]propanoate is 327.12305 g/mol.
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