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

C11H18N2O4 — CID 20833918

IUPACethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate
SMILESCCCC(C(=O)OCC)C1(C)NC(=O)NC1=O
InChIInChI=1S/C11H18N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h7H,4-6H2,1-3H3,(H2,12,13,15,16)
InChIKeyBIDYIAOOCBFMQV-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.56
Rot. Bonds5

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

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate (PubChem CID 20833918) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate
PubChem CID20833918
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate
SMILESCCCC(C(=O)OCC)C1(C)NC(=O)NC1=O
InChIInChI=1S/C11H18N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h7H,4-6H2,1-3H3,(H2,12,13,15,16)
InChIKeyBIDYIAOOCBFMQV-UHFFFAOYSA-N
XLogP0.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.56
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)pentanoate?
The IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate (CID 20833918) is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate.
What is the SMILES notation for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate?
The canonical SMILES for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate is CCCC(C(=O)OCC)C1(C)NC(=O)NC1=O.
What is the InChIKey of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate?
The InChIKey is BIDYIAOOCBFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-6-7(8(14)17-5-2)11(3)9(15)12-10(16)13-11/h7H,4-6H2,1-3H3,(H2,12,13,15,16).
What are the key properties of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate?
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-4-yl)pentanoate has a molecular weight of 242.27 g/mol, XLogP of 0.56, 5 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)pentanoate is sourced from PubChem (CID 20833918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).