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1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate

C14H14N2O6 — CID 56505352

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H14N2O6/c1-21-12(18)9-4-2-3-5-10(9)13(19)22-8-11(17)16-7-6-15-14(16)20/h2-5H,6-8H2,1H3,(H,15,20)
InChIKeyDEVPYEQEDQCENR-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.18
Rot. Bonds4

About 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate

1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate (PubChem CID 56505352) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate
PubChem CID56505352
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C14H14N2O6/c1-21-12(18)9-4-2-3-5-10(9)13(19)22-8-11(17)16-7-6-15-14(16)20/h2-5H,6-8H2,1H3,(H,15,20)
InChIKeyDEVPYEQEDQCENR-UHFFFAOYSA-N
XLogP0.18
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate?
The IUPAC name of 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate (CID 56505352) is 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate.
What is the SMILES notation for 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate?
The canonical SMILES for 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate is COC(=O)c1ccccc1C(=O)OCC(=O)N1CCNC1=O.
What is the InChIKey of 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate?
The InChIKey is DEVPYEQEDQCENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c1-21-12(18)9-4-2-3-5-10(9)13(19)22-8-11(17)16-7-6-15-14(16)20/h2-5H,6-8H2,1H3,(H,15,20).
What are the key properties of 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate?
1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate has a molecular weight of 306.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate is sourced from PubChem (CID 56505352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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