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

C8H11N3O5 — CID 155490233

IUPACethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)CN(C(N)=O)C1=O
InChIInChI=1S/C8H11N3O5/c1-2-16-6(13)4-10-5(12)3-11(7(9)14)8(10)15/h2-4H2,1H3,(H2,9,14)
InChIKeyIOQGJUQCAQWIAV-UHFFFAOYSA-N
MW229.19 g/mol
LogP-1.11
Rot. Bonds3

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

ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 155490233) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID155490233
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Nameethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1C(=O)CN(C(N)=O)C1=O
InChIInChI=1S/C8H11N3O5/c1-2-16-6(13)4-10-5(12)3-11(7(9)14)8(10)15/h2-4H2,1H3,(H2,9,14)
InChIKeyIOQGJUQCAQWIAV-UHFFFAOYSA-N
XLogP-1.11
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 155490233) is ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate is CCOC(=O)CN1C(=O)CN(C(N)=O)C1=O.
What is the InChIKey of ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is IOQGJUQCAQWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c1-2-16-6(13)4-10-5(12)3-11(7(9)14)8(10)15/h2-4H2,1H3,(H2,9,14).
What are the key properties of ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate?
ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 229.19 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 155490233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).