ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate

C11H14N2O7 — CID 90480645

IUPACethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(CC(=O)OCC)C1=O
InChIInChI=1S/C11H14N2O7/c1-3-19-7(14)5-12-9(16)10(17)13(11(12)18)6-8(15)20-4-2/h3-6H2,1-2H3
InChIKeyDDGDWMYFDXSZIH-UHFFFAOYSA-N
MW286.24 g/mol
LogP-1.10
Rot. Bonds6

About ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate (PubChem CID 90480645) has the molecular formula C11H14N2O7 and a molecular weight of 286.24 g/mol. Its IUPAC name is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
PubChem CID90480645
Molecular FormulaC11H14N2O7
Molecular Weight286.24 g/mol
Exact Mass286.08
IUPAC Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(CC(=O)OCC)C1=O
InChIInChI=1S/C11H14N2O7/c1-3-19-7(14)5-12-9(16)10(17)13(11(12)18)6-8(15)20-4-2/h3-6H2,1-2H3
InChIKeyDDGDWMYFDXSZIH-UHFFFAOYSA-N
XLogP-1.10
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate (CID 90480645) is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)C(=O)N(CC(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate?
The InChIKey is DDGDWMYFDXSZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O7/c1-3-19-7(14)5-12-9(16)10(17)13(11(12)18)6-8(15)20-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate?
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate has a molecular weight of 286.24 g/mol, XLogP of -1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 90480645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).