1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid

C14H26N4O4 — CID 162264022

IUPAC1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid
SMILESCCN1CCN(CC(=O)O)C1=O.CCN1CCN(CC)C1=O
InChIInChI=1S/C7H12N2O3.C7H14N2O/c1-2-8-3-4-9(7(8)12)5-6(10)11;1-3-8-5-6-9(4-2)7(8)10/h2-5H2,1H3,(H,10,11);3-6H2,1-2H3
InChIKeyZZQMOOXZMWAZCZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.59
Rot. Bonds5

About 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid

1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid (PubChem CID 162264022) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid
PubChem CID162264022
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid
SMILESCCN1CCN(CC(=O)O)C1=O.CCN1CCN(CC)C1=O
InChIInChI=1S/C7H12N2O3.C7H14N2O/c1-2-8-3-4-9(7(8)12)5-6(10)11;1-3-8-5-6-9(4-2)7(8)10/h2-5H2,1H3,(H,10,11);3-6H2,1-2H3
InChIKeyZZQMOOXZMWAZCZ-UHFFFAOYSA-N
XLogP0.59
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid (CID 162264022) is 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid is CCN1CCN(CC(=O)O)C1=O.CCN1CCN(CC)C1=O.
What is the InChIKey of 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid?
The InChIKey is ZZQMOOXZMWAZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3.C7H14N2O/c1-2-8-3-4-9(7(8)12)5-6(10)11;1-3-8-5-6-9(4-2)7(8)10/h2-5H2,1H3,(H,10,11);3-6H2,1-2H3.
What are the key properties of 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid?
1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid has a molecular weight of 314.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylimidazolidin-2-one;2-(3-ethyl-2-oxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 162264022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).