diethyl 2-oxoimidazolidine-1,3-dicarboxylate

C9H14N2O5 — CID 139667780

IUPACdiethyl 2-oxoimidazolidine-1,3-dicarboxylate
SMILESCCOC(=O)N1CCN(C(=O)OCC)C1=O
InChIInChI=1S/C9H14N2O5/c1-3-15-8(13)10-5-6-11(7(10)12)9(14)16-4-2/h3-6H2,1-2H3
InChIKeyAVAJKMRZJRZLCB-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.04
Rot. Bonds2

About diethyl 2-oxoimidazolidine-1,3-dicarboxylate

diethyl 2-oxoimidazolidine-1,3-dicarboxylate (PubChem CID 139667780) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is diethyl 2-oxoimidazolidine-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-oxoimidazolidine-1,3-dicarboxylate
PubChem CID139667780
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Namediethyl 2-oxoimidazolidine-1,3-dicarboxylate
SMILESCCOC(=O)N1CCN(C(=O)OCC)C1=O
InChIInChI=1S/C9H14N2O5/c1-3-15-8(13)10-5-6-11(7(10)12)9(14)16-4-2/h3-6H2,1-2H3
InChIKeyAVAJKMRZJRZLCB-UHFFFAOYSA-N
XLogP1.04
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-oxoimidazolidine-1,3-dicarboxylate?
The IUPAC name of diethyl 2-oxoimidazolidine-1,3-dicarboxylate (CID 139667780) is diethyl 2-oxoimidazolidine-1,3-dicarboxylate.
What is the SMILES notation for diethyl 2-oxoimidazolidine-1,3-dicarboxylate?
The canonical SMILES for diethyl 2-oxoimidazolidine-1,3-dicarboxylate is CCOC(=O)N1CCN(C(=O)OCC)C1=O.
What is the InChIKey of diethyl 2-oxoimidazolidine-1,3-dicarboxylate?
The InChIKey is AVAJKMRZJRZLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-3-15-8(13)10-5-6-11(7(10)12)9(14)16-4-2/h3-6H2,1-2H3.
What are the key properties of diethyl 2-oxoimidazolidine-1,3-dicarboxylate?
diethyl 2-oxoimidazolidine-1,3-dicarboxylate has a molecular weight of 230.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-oxoimidazolidine-1,3-dicarboxylate is sourced from PubChem (CID 139667780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).