2-(2,5-dioxoimidazolidin-1-yl)acetate

C5H5N2O4- — CID 2512551

IUPAC2-(2,5-dioxoimidazolidin-1-yl)acetate
SMILESO=C([O-])CN1C(=O)CNC1=O
InChIInChI=1S/C5H6N2O4/c8-3-1-6-5(11)7(3)2-4(9)10/h1-2H2,(H,6,11)(H,9,10)/p-1
InChIKeyUYBPMPGSEWRTLG-UHFFFAOYSA-M
MW157.10 g/mol
LogP-2.71
Rot. Bonds2

About 2-(2,5-dioxoimidazolidin-1-yl)acetate

2-(2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2512551) has the molecular formula C5H5N2O4- and a molecular weight of 157.10 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2512551
Molecular FormulaC5H5N2O4-
Molecular Weight157.10 g/mol
Exact Mass157.03
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)acetate
SMILESO=C([O-])CN1C(=O)CNC1=O
InChIInChI=1S/C5H6N2O4/c8-3-1-6-5(11)7(3)2-4(9)10/h1-2H2,(H,6,11)(H,9,10)/p-1
InChIKeyUYBPMPGSEWRTLG-UHFFFAOYSA-M
XLogP-2.71
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-2.71
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 2-(2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)acetate (CID 2512551) is 2-(2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)acetate is O=C([O-])CN1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is UYBPMPGSEWRTLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O4/c8-3-1-6-5(11)7(3)2-4(9)10/h1-2H2,(H,6,11)(H,9,10)/p-1.
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)acetate?
2-(2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 157.10 g/mol, XLogP of -2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2512551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).