(3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate

C11H20N2O3 — CID 20747016

IUPAC(3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate
SMILESCCN1CCN(COC(=O)C(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O3/c1-5-12-6-7-13(10(12)15)8-16-9(14)11(2,3)4/h5-8H2,1-4H3
InChIKeyCLZOLLUBGBJICQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds3

About (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate

(3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate (PubChem CID 20747016) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate
PubChem CID20747016
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate
SMILESCCN1CCN(COC(=O)C(C)(C)C)C1=O
InChIInChI=1S/C11H20N2O3/c1-5-12-6-7-13(10(12)15)8-16-9(14)11(2,3)4/h5-8H2,1-4H3
InChIKeyCLZOLLUBGBJICQ-UHFFFAOYSA-N
XLogP1.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate (CID 20747016) is (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate is CCN1CCN(COC(=O)C(C)(C)C)C1=O.
What is the InChIKey of (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is CLZOLLUBGBJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-12-6-7-13(10(12)15)8-16-9(14)11(2,3)4/h5-8H2,1-4H3.
What are the key properties of (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate?
(3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 228.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-oxoimidazolidin-1-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 20747016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).