(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate

C11H10N2O4 — CID 2098514

IUPAC(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(N)=O)cc1
InChIInChI=1S/C11H10N2O4/c12-5-8-1-3-9(4-2-8)16-7-11(15)17-6-10(13)14/h1-4H,6-7H2,(H2,13,14)
InChIKeyMCXMJRFKJCATDE-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.03
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate

(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate (PubChem CID 2098514) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
PubChem CID2098514
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(N)=O)cc1
InChIInChI=1S/C11H10N2O4/c12-5-8-1-3-9(4-2-8)16-7-11(15)17-6-10(13)14/h1-4H,6-7H2,(H2,13,14)
InChIKeyMCXMJRFKJCATDE-UHFFFAOYSA-N
XLogP-0.03
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
CID 30046988
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2442737
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140419
[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140972
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 2407523
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
CID 4810628
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140911
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-cyanophenoxy)acetate
CID 9140926
(4-methylsulfanylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843363
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140880

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate (CID 2098514) is (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate is N#Cc1ccc(OCC(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate?
The InChIKey is MCXMJRFKJCATDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c12-5-8-1-3-9(4-2-8)16-7-11(15)17-6-10(13)14/h1-4H,6-7H2,(H2,13,14).
What are the key properties of (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate?
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate has a molecular weight of 234.21 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 2098514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).