ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate

C11H18N2O4 — CID 70133799

IUPACethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate
SMILESCCOC(=O)C(=O)N1CCN(CCC(C)=O)C1
InChIInChI=1S/C11H18N2O4/c1-3-17-11(16)10(15)13-7-6-12(8-13)5-4-9(2)14/h3-8H2,1-2H3
InChIKeyNOCHGMZLXJAJLT-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.37
Rot. Bonds4

About ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate

ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate (PubChem CID 70133799) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate
PubChem CID70133799
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate
SMILESCCOC(=O)C(=O)N1CCN(CCC(C)=O)C1
InChIInChI=1S/C11H18N2O4/c1-3-17-11(16)10(15)13-7-6-12(8-13)5-4-9(2)14/h3-8H2,1-2H3
InChIKeyNOCHGMZLXJAJLT-UHFFFAOYSA-N
XLogP-0.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-(4-cyclopropylpiperazin-1-yl)-2-oxoacetate
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ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
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ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
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ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
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ethyl 2-(3-aminopyrrolidin-1-yl)-2-oxoacetate
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CID 108522953

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate (CID 70133799) is ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate is CCOC(=O)C(=O)N1CCN(CCC(C)=O)C1.
What is the InChIKey of ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate?
The InChIKey is NOCHGMZLXJAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-17-11(16)10(15)13-7-6-12(8-13)5-4-9(2)14/h3-8H2,1-2H3.
What are the key properties of ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate?
ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate has a molecular weight of 242.27 g/mol, XLogP of -0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[3-(3-oxobutyl)imidazolidin-1-yl]acetate is sourced from PubChem (CID 70133799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).