[2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate

C13H16FNO5 — CID 141089248

IUPAC[2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate
SMILESCCOC(OC(C)=O)(C(N)=O)c1ccc(OC)cc1F
InChIInChI=1S/C13H16FNO5/c1-4-19-13(12(15)17,20-8(2)16)10-6-5-9(18-3)7-11(10)14/h5-7H,4H2,1-3H3,(H2,15,17)
InChIKeyGBOQECZFGBGJHJ-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.07
Rot. Bonds6

About [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate

[2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate (PubChem CID 141089248) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate
PubChem CID141089248
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name[2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate
SMILESCCOC(OC(C)=O)(C(N)=O)c1ccc(OC)cc1F
InChIInChI=1S/C13H16FNO5/c1-4-19-13(12(15)17,20-8(2)16)10-6-5-9(18-3)7-11(10)14/h5-7H,4H2,1-3H3,(H2,15,17)
InChIKeyGBOQECZFGBGJHJ-UHFFFAOYSA-N
XLogP1.07
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate?
The IUPAC name of [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate (CID 141089248) is [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate?
The canonical SMILES for [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate is CCOC(OC(C)=O)(C(N)=O)c1ccc(OC)cc1F.
What is the InChIKey of [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate?
The InChIKey is GBOQECZFGBGJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-4-19-13(12(15)17,20-8(2)16)10-6-5-9(18-3)7-11(10)14/h5-7H,4H2,1-3H3,(H2,15,17).
What are the key properties of [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate?
[2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate has a molecular weight of 285.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-ethoxy-1-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 141089248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).