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

C8H12N2O4 — CID 137320526

IUPACethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC(C)C1=O
InChIInChI=1S/C8H12N2O4/c1-3-14-6(11)4-10-7(12)5(2)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeySDFTURJYVJYCSW-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.51
Rot. Bonds3

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

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 137320526) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID137320526
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC(C)C1=O
InChIInChI=1S/C8H12N2O4/c1-3-14-6(11)4-10-7(12)5(2)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeySDFTURJYVJYCSW-UHFFFAOYSA-N
XLogP-0.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107553
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
ethyl 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98176611
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887
ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11712165
ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 15096135
ethyl 3-[1-[12-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]dodecyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11642629
[(3R,4R)-4-benzoyloxy-1-(2-ethoxy-2-oxoethyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 1020607
ethyl 2-(6-hydroxy-2-oxo-1,6-dihydropyrimidin-3-yl)acetate
CID 155378640
(5R)-3-ethoxy-5-methylimidazolidine-2,4-dione
CID 126988402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 137320526) is ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is CCOC(=O)CN1C(=O)NC(C)C1=O.
What is the InChIKey of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is SDFTURJYVJYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-3-14-6(11)4-10-7(12)5(2)9-8(10)13/h5H,3-4H2,1-2H3,(H,9,13).
What are the key properties of ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 200.19 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 137320526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).