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

C9H14N2O4 — CID 14678127

IUPACethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-4-15-6(12)5-11-7(13)9(2,3)10-8(11)14/h4-5H2,1-3H3,(H,10,14)
InChIKeyLCFHRQFJVBKAOI-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.12
Rot. Bonds3

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

ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 14678127) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID14678127
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Nameethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-4-15-6(12)5-11-7(13)9(2,3)10-8(11)14/h4-5H2,1-3H3,(H,10,14)
InChIKeyLCFHRQFJVBKAOI-UHFFFAOYSA-N
XLogP-0.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 14678127) is ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCOC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is LCFHRQFJVBKAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-4-15-6(12)5-11-7(13)9(2,3)10-8(11)14/h4-5H2,1-3H3,(H,10,14).
What are the key properties of ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 214.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 14678127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).