(2,5-dioxoimidazolidin-4-yl) acetate

C5H6N2O4 — CID 21318284

IUPAC(2,5-dioxoimidazolidin-4-yl) acetate
SMILESCC(=O)OC1NC(=O)NC1=O
InChIInChI=1S/C5H6N2O4/c1-2(8)11-4-3(9)6-5(10)7-4/h4H,1H3,(H2,6,7,9,10)
InChIKeyGAXCDXRVHVIUSB-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.28
Rot. Bonds1

About (2,5-dioxoimidazolidin-4-yl) acetate

(2,5-dioxoimidazolidin-4-yl) acetate (PubChem CID 21318284) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is (2,5-dioxoimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(2,5-dioxoimidazolidin-4-yl) acetate
PubChem CID21318284
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name(2,5-dioxoimidazolidin-4-yl) acetate
SMILESCC(=O)OC1NC(=O)NC1=O
InChIInChI=1S/C5H6N2O4/c1-2(8)11-4-3(9)6-5(10)7-4/h4H,1H3,(H2,6,7,9,10)
InChIKeyGAXCDXRVHVIUSB-UHFFFAOYSA-N
XLogP-1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
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 (2,5-dioxoimidazolidin-4-yl) acetate?
The IUPAC name of (2,5-dioxoimidazolidin-4-yl) acetate (CID 21318284) is (2,5-dioxoimidazolidin-4-yl) acetate.
What is the SMILES notation for (2,5-dioxoimidazolidin-4-yl) acetate?
The canonical SMILES for (2,5-dioxoimidazolidin-4-yl) acetate is CC(=O)OC1NC(=O)NC1=O.
What is the InChIKey of (2,5-dioxoimidazolidin-4-yl) acetate?
The InChIKey is GAXCDXRVHVIUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c1-2(8)11-4-3(9)6-5(10)7-4/h4H,1H3,(H2,6,7,9,10).
What are the key properties of (2,5-dioxoimidazolidin-4-yl) acetate?
(2,5-dioxoimidazolidin-4-yl) acetate has a molecular weight of 158.11 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxoimidazolidin-4-yl) acetate is sourced from PubChem (CID 21318284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).