[(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid

C4H10N2O7P2 — CID 54317080

IUPAC[(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESO=C1NCCN1C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C4H10N2O7P2/c7-3-5-1-2-6(3)4(14(8,9)10)15(11,12)13/h4H,1-2H2,(H,5,7)(H2,8,9,10)(H2,11,12,13)
InChIKeySOZDNNZNUPXGKV-UHFFFAOYSA-N
MW260.08 g/mol
LogP-1.35
Rot. Bonds3

About [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid

[(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid (PubChem CID 54317080) has the molecular formula C4H10N2O7P2 and a molecular weight of 260.08 g/mol. Its IUPAC name is [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
PubChem CID54317080
Molecular FormulaC4H10N2O7P2
Molecular Weight260.08 g/mol
Exact Mass260.00
IUPAC Name[(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid
SMILESO=C1NCCN1C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C4H10N2O7P2/c7-3-5-1-2-6(3)4(14(8,9)10)15(11,12)13/h4H,1-2H2,(H,5,7)(H2,8,9,10)(H2,11,12,13)
InChIKeySOZDNNZNUPXGKV-UHFFFAOYSA-N
XLogP-1.35
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid (CID 54317080) is [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid is O=C1NCCN1C(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid?
The InChIKey is SOZDNNZNUPXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O7P2/c7-3-5-1-2-6(3)4(14(8,9)10)15(11,12)13/h4H,1-2H2,(H,5,7)(H2,8,9,10)(H2,11,12,13).
What are the key properties of [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid?
[(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid has a molecular weight of 260.08 g/mol, XLogP of -1.35, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-oxoimidazolidin-1-yl)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 54317080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).