2,5-dioxoimidazolidine-1-carboxylic acid

C4H4N2O4 — CID 67883072

IUPAC2,5-dioxoimidazolidine-1-carboxylic acid
SMILESO=C(O)N1C(=O)CNC1=O
InChIInChI=1S/C4H4N2O4/c7-2-1-5-3(8)6(2)4(9)10/h1H2,(H,5,8)(H,9,10)
InChIKeyZOUWCQDALSQRFN-UHFFFAOYSA-N
MW144.09 g/mol
LogP-0.78
Rot. Bonds

About 2,5-dioxoimidazolidine-1-carboxylic acid

2,5-dioxoimidazolidine-1-carboxylic acid (PubChem CID 67883072) has the molecular formula C4H4N2O4 and a molecular weight of 144.09 g/mol. Its IUPAC name is 2,5-dioxoimidazolidine-1-carboxylic acid.

Molecular Properties

Compound Name2,5-dioxoimidazolidine-1-carboxylic acid
PubChem CID67883072
Molecular FormulaC4H4N2O4
Molecular Weight144.09 g/mol
Exact Mass144.02
IUPAC Name2,5-dioxoimidazolidine-1-carboxylic acid
SMILESO=C(O)N1C(=O)CNC1=O
InChIInChI=1S/C4H4N2O4/c7-2-1-5-3(8)6(2)4(9)10/h1H2,(H,5,8)(H,9,10)
InChIKeyZOUWCQDALSQRFN-UHFFFAOYSA-N
XLogP-0.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-dioxoimidazolidine-1-carboxylic acid?
The IUPAC name of 2,5-dioxoimidazolidine-1-carboxylic acid (CID 67883072) is 2,5-dioxoimidazolidine-1-carboxylic acid.
What is the SMILES notation for 2,5-dioxoimidazolidine-1-carboxylic acid?
The canonical SMILES for 2,5-dioxoimidazolidine-1-carboxylic acid is O=C(O)N1C(=O)CNC1=O.
What is the InChIKey of 2,5-dioxoimidazolidine-1-carboxylic acid?
The InChIKey is ZOUWCQDALSQRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O4/c7-2-1-5-3(8)6(2)4(9)10/h1H2,(H,5,8)(H,9,10).
What are the key properties of 2,5-dioxoimidazolidine-1-carboxylic acid?
2,5-dioxoimidazolidine-1-carboxylic acid has a molecular weight of 144.09 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxoimidazolidine-1-carboxylic acid is sourced from PubChem (CID 67883072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).