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

C8H12N2O4 — CID 28825420

IUPACethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H12N2O4/c1-3-14-7(12)5-10-6(11)4-9(2)8(10)13/h3-5H2,1-2H3
InChIKeyYIOJLBRFVLQGPS-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.56
Rot. Bonds3

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

ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 28825420) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID28825420
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Nameethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H12N2O4/c1-3-14-7(12)5-10-6(11)4-9(2)8(10)13/h3-5H2,1-2H3
InChIKeyYIOJLBRFVLQGPS-UHFFFAOYSA-N
XLogP-0.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
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-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 28825420) is ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate is CCOC(=O)CN1C(=O)CN(C)C1=O.
What is the InChIKey of ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is YIOJLBRFVLQGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-3-14-7(12)5-10-6(11)4-9(2)8(10)13/h3-5H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 200.19 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 28825420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).