ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate

C12H16N2O4 — CID 60812238

IUPACethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1ccccc1N
InChIInChI=1S/C12H16N2O4/c1-2-17-12(16)7-14-11(15)8-18-10-6-4-3-5-9(10)13/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyVQPOHRXELTXMGH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.33
Rot. Bonds6

About ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate

ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate (PubChem CID 60812238) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
PubChem CID60812238
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1ccccc1N
InChIInChI=1S/C12H16N2O4/c1-2-17-12(16)7-14-11(15)8-18-10-6-4-3-5-9(10)13/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyVQPOHRXELTXMGH-UHFFFAOYSA-N
XLogP0.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
CID 55108500
2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106289109
ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
CID 43985195
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate
CID 166386485
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate (CID 60812238) is ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate is CCOC(=O)CNC(=O)COc1ccccc1N.
What is the InChIKey of ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate?
The InChIKey is VQPOHRXELTXMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-17-12(16)7-14-11(15)8-18-10-6-4-3-5-9(10)13/h3-6H,2,7-8,13H2,1H3,(H,14,15).
What are the key properties of ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate?
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate has a molecular weight of 252.27 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate is sourced from PubChem (CID 60812238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).