ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate

C13H20N2O5 — CID 20833905

IUPACethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(CC(C)=O)C1=O
InChIInChI=1S/C13H20N2O5/c1-5-9(10(17)20-6-2)13(4)11(18)15(7-8(3)16)12(19)14-13/h9H,5-7H2,1-4H3,(H,14,19)
InChIKeySXEIWNONWWAXIC-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.48
Rot. Bonds6

About ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate

ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate (PubChem CID 20833905) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate
PubChem CID20833905
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate
SMILESCCOC(=O)C(CC)C1(C)NC(=O)N(CC(C)=O)C1=O
InChIInChI=1S/C13H20N2O5/c1-5-9(10(17)20-6-2)13(4)11(18)15(7-8(3)16)12(19)14-13/h9H,5-7H2,1-4H3,(H,14,19)
InChIKeySXEIWNONWWAXIC-UHFFFAOYSA-N
XLogP0.48
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate?
The IUPAC name of ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate (CID 20833905) is ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate.
What is the SMILES notation for ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate?
The canonical SMILES for ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate is CCOC(=O)C(CC)C1(C)NC(=O)N(CC(C)=O)C1=O.
What is the InChIKey of ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate?
The InChIKey is SXEIWNONWWAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-5-9(10(17)20-6-2)13(4)11(18)15(7-8(3)16)12(19)14-13/h9H,5-7H2,1-4H3,(H,14,19).
What are the key properties of ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate?
ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate has a molecular weight of 284.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methyl-2,5-dioxo-1-(2-oxopropyl)imidazolidin-4-yl]butanoate is sourced from PubChem (CID 20833905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).