ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate

C8H10N2O5 — CID 15096135

IUPACethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C8H10N2O5/c1-3-15-5(11)4-10-7(13)6(12)9(2)8(10)14/h3-4H2,1-2H3
InChIKeyWSMGRLIAASXYLM-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.03
Rot. Bonds3

About ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate

ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate (PubChem CID 15096135) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
PubChem CID15096135
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Nameethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C8H10N2O5/c1-3-15-5(11)4-10-7(13)6(12)9(2)8(10)14/h3-4H2,1-2H3
InChIKeyWSMGRLIAASXYLM-UHFFFAOYSA-N
XLogP-1.03
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 15096137
1-(3-methoxy-2-oxopropyl)-3-methylimidazolidine-2,4,5-trione
CID 107507683
2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetic acid
CID 101269031
ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 2767597
2-[methyl-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 119358190
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 137320526
ethyl 2-[2,4,5-trioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetate
CID 134112876
ethyl 2-[3-[(3-nitrophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 10568788
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243
ethyl 2-(5-hydrazinylidene-4-oxo-2-propan-2-ylidene-1,3-thiazolidin-3-yl)acetate
CID 173320956
ethyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 698673
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 154108314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate (CID 15096135) is ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate is CCOC(=O)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
The InChIKey is WSMGRLIAASXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-3-15-5(11)4-10-7(13)6(12)9(2)8(10)14/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate?
ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate has a molecular weight of 214.18 g/mol, XLogP of -1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 15096135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).