ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate

C10H16N2O4 — CID 20833914

IUPACethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-4-6(7(13)16-5-2)10(3)8(14)11-9(15)12-10/h6H,4-5H2,1-3H3,(H2,11,12,14,15)
InChIKeyFNEUAYRVIVPOCC-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.17
Rot. Bonds4

About ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate (PubChem CID 20833914) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate
PubChem CID20833914
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-4-6(7(13)16-5-2)10(3)8(14)11-9(15)12-10/h6H,4-5H2,1-3H3,(H2,11,12,14,15)
InChIKeyFNEUAYRVIVPOCC-UHFFFAOYSA-N
XLogP0.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate (CID 20833914) is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The canonical SMILES for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate is CCOC(=O)C(CC)C1(C)NC(=O)NC1=O.
What is the InChIKey of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The InChIKey is FNEUAYRVIVPOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-4-6(7(13)16-5-2)10(3)8(14)11-9(15)12-10/h6H,4-5H2,1-3H3,(H2,11,12,14,15).
What are the key properties of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate?
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate has a molecular weight of 228.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)butanoate is sourced from PubChem (CID 20833914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).