1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid

C5H12N2O4P2 — CID 141246131

IUPAC1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid
SMILESCC(PN1CCNC1=O)P(=O)(O)O
InChIInChI=1S/C5H12N2O4P2/c1-4(13(9,10)11)12-7-3-2-6-5(7)8/h4,12H,2-3H2,1H3,(H,6,8)(H2,9,10,11)
InChIKeyGOAOGPVEPXNCLL-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.13
Rot. Bonds3

About 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid

1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid (PubChem CID 141246131) has the molecular formula C5H12N2O4P2 and a molecular weight of 226.11 g/mol. Its IUPAC name is 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid.

Molecular Properties

Compound Name1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid
PubChem CID141246131
Molecular FormulaC5H12N2O4P2
Molecular Weight226.11 g/mol
Exact Mass226.03
IUPAC Name1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid
SMILESCC(PN1CCNC1=O)P(=O)(O)O
InChIInChI=1S/C5H12N2O4P2/c1-4(13(9,10)11)12-7-3-2-6-5(7)8/h4,12H,2-3H2,1H3,(H,6,8)(H2,9,10,11)
InChIKeyGOAOGPVEPXNCLL-UHFFFAOYSA-N
XLogP0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid?
The IUPAC name of 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid (CID 141246131) is 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid.
What is the SMILES notation for 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid?
The canonical SMILES for 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid is CC(PN1CCNC1=O)P(=O)(O)O.
What is the InChIKey of 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid?
The InChIKey is GOAOGPVEPXNCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4P2/c1-4(13(9,10)11)12-7-3-2-6-5(7)8/h4,12H,2-3H2,1H3,(H,6,8)(H2,9,10,11).
What are the key properties of 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid?
1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid has a molecular weight of 226.11 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoimidazolidin-1-yl)phosphanylethylphosphonic acid is sourced from PubChem (CID 141246131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).