ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate

C11H18N2O4 — CID 20833912

IUPACethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(C)C1=O
InChIInChI=1S/C11H18N2O4/c1-5-7(8(14)17-6-2)11(3)9(15)13(4)10(16)12-11/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyACAPNGQXAWYGKY-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.52
Rot. Bonds4

About ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate

ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate (PubChem CID 20833912) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate
PubChem CID20833912
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(C)C1=O
InChIInChI=1S/C11H18N2O4/c1-5-7(8(14)17-6-2)11(3)9(15)13(4)10(16)12-11/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyACAPNGQXAWYGKY-UHFFFAOYSA-N
XLogP0.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
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-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The IUPAC name of ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate (CID 20833912) is ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate.
What is the SMILES notation for ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The canonical SMILES for ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate is CCOC(=O)C(CC)C1(C)NC(=O)N(C)C1=O.
What is the InChIKey of ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate?
The InChIKey is ACAPNGQXAWYGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-5-7(8(14)17-6-2)11(3)9(15)13(4)10(16)12-11/h7H,5-6H2,1-4H3,(H,12,16).
What are the key properties of ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate?
ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate has a molecular weight of 242.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,4-dimethyl-2,5-dioxoimidazolidin-4-yl)butanoate is sourced from PubChem (CID 20833912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).