ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate

C11H20FNO4 — CID 135388722

IUPACethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate
SMILESCCOC(=O)CCNC(CF)CC(=O)OCC
InChIInChI=1S/C11H20FNO4/c1-3-16-10(14)5-6-13-9(8-12)7-11(15)17-4-2/h9,13H,3-8H2,1-2H3
InChIKeyUOEWVELFWLKVOD-UHFFFAOYSA-N
MW249.28 g/mol
LogP0.82
Rot. Bonds9

About ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate

ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate (PubChem CID 135388722) has the molecular formula C11H20FNO4 and a molecular weight of 249.28 g/mol. Its IUPAC name is ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate.

Molecular Properties

Compound Nameethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate
PubChem CID135388722
Molecular FormulaC11H20FNO4
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate
SMILESCCOC(=O)CCNC(CF)CC(=O)OCC
InChIInChI=1S/C11H20FNO4/c1-3-16-10(14)5-6-13-9(8-12)7-11(15)17-4-2/h9,13H,3-8H2,1-2H3
InChIKeyUOEWVELFWLKVOD-UHFFFAOYSA-N
XLogP0.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate?
The IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate (CID 135388722) is ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate.
What is the SMILES notation for ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate?
The canonical SMILES for ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate is CCOC(=O)CCNC(CF)CC(=O)OCC.
What is the InChIKey of ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate?
The InChIKey is UOEWVELFWLKVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO4/c1-3-16-10(14)5-6-13-9(8-12)7-11(15)17-4-2/h9,13H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate?
ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate has a molecular weight of 249.28 g/mol, XLogP of 0.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-ethoxy-3-oxopropyl)amino]-4-fluorobutanoate is sourced from PubChem (CID 135388722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).