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

C11H12N2O3 — CID 61388704

IUPACethyl 2-(2-amino-4-cyanophenoxy)acetate
SMILESCCOC(=O)COc1ccc(C#N)cc1N
InChIInChI=1S/C11H12N2O3/c1-2-15-11(14)7-16-10-4-3-8(6-12)5-9(10)13/h3-5H,2,7,13H2,1H3
InChIKeyNHMAPUAOXQHCPS-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.08
Rot. Bonds4

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

ethyl 2-(2-amino-4-cyanophenoxy)acetate (PubChem CID 61388704) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 2-(2-amino-4-cyanophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-4-cyanophenoxy)acetate
PubChem CID61388704
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 2-(2-amino-4-cyanophenoxy)acetate
SMILESCCOC(=O)COc1ccc(C#N)cc1N
InChIInChI=1S/C11H12N2O3/c1-2-15-11(14)7-16-10-4-3-8(6-12)5-9(10)13/h3-5H,2,7,13H2,1H3
InChIKeyNHMAPUAOXQHCPS-UHFFFAOYSA-N
XLogP1.08
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-cyanophenoxy)-N-(cyanomethyl)acetamide
CID 61388694
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 61388717
benzyl 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 27725620
ethyl 2-[2-cyano-4-(2-hydroxyethyl)phenoxy]acetate
CID 18620086
ethyl 2-[2-cyano-4-(trifluoromethyl)phenoxy]acetate
CID 59825201
2-[2-[(2-amino-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460512
ethyl 4-(2-amino-4-cyanoanilino)butanoate
CID 64577491
ethyl 2-[4-chloro-2-(3-cyano-5-methylbenzoyl)phenoxy]acetate
CID 23596859
ethyl 2-[5-cyano-2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]phenoxy]acetate
CID 67440007
3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 61103813
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-4-cyanophenoxy)acetate?
The IUPAC name of ethyl 2-(2-amino-4-cyanophenoxy)acetate (CID 61388704) is ethyl 2-(2-amino-4-cyanophenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-amino-4-cyanophenoxy)acetate?
The canonical SMILES for ethyl 2-(2-amino-4-cyanophenoxy)acetate is CCOC(=O)COc1ccc(C#N)cc1N.
What is the InChIKey of ethyl 2-(2-amino-4-cyanophenoxy)acetate?
The InChIKey is NHMAPUAOXQHCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-15-11(14)7-16-10-4-3-8(6-12)5-9(10)13/h3-5H,2,7,13H2,1H3.
What are the key properties of ethyl 2-(2-amino-4-cyanophenoxy)acetate?
ethyl 2-(2-amino-4-cyanophenoxy)acetate has a molecular weight of 220.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-4-cyanophenoxy)acetate is sourced from PubChem (CID 61388704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).