[2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate

C14H14N2O4 — CID 4800874

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H14N2O4/c15-7-10-3-1-2-4-12(10)19-9-14(18)20-8-13(17)16-11-5-6-11/h1-4,11H,5-6,8-9H2,(H,16,17)
InChIKeyKUPZNCJSTBAYCY-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.76
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 4800874) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID4800874
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1
InChIInChI=1S/C14H14N2O4/c15-7-10-3-1-2-4-12(10)19-9-14(18)20-8-13(17)16-11-5-6-11/h1-4,11H,5-6,8-9H2,(H,16,17)
InChIKeyKUPZNCJSTBAYCY-UHFFFAOYSA-N
XLogP0.76
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 4800874) is [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is KUPZNCJSTBAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c15-7-10-3-1-2-4-12(10)19-9-14(18)20-8-13(17)16-11-5-6-11/h1-4,11H,5-6,8-9H2,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 274.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 4800874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).