ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate

C11H13FN2O4 — CID 166386485

IUPACethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1ccc(F)nc1
InChIInChI=1S/C11H13FN2O4/c1-2-17-11(16)6-14-10(15)7-18-8-3-4-9(12)13-5-8/h3-5H,2,6-7H2,1H3,(H,14,15)
InChIKeyLHALOOSYONYZAP-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.28
Rot. Bonds6

About ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate

ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate (PubChem CID 166386485) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate
PubChem CID166386485
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1ccc(F)nc1
InChIInChI=1S/C11H13FN2O4/c1-2-17-11(16)6-14-10(15)7-18-8-3-4-9(12)13-5-8/h3-5H,2,6-7H2,1H3,(H,14,15)
InChIKeyLHALOOSYONYZAP-UHFFFAOYSA-N
XLogP0.28
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide
CID 115371607
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
2-[(6-fluoro-3-pyridinyl)oxy]-N-methylacetamide
CID 115371615
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
CID 115282956
ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate
CID 21270694
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42976059
ethyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]acetate
CID 60812140
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate (CID 166386485) is ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate is CCOC(=O)CNC(=O)COc1ccc(F)nc1.
What is the InChIKey of ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate?
The InChIKey is LHALOOSYONYZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-2-17-11(16)6-14-10(15)7-18-8-3-4-9(12)13-5-8/h3-5H,2,6-7H2,1H3,(H,14,15).
What are the key properties of ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate?
ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate has a molecular weight of 256.23 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate is sourced from PubChem (CID 166386485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).