[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid

C6H8NO7P — CID 130409235

IUPAC[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H8NO7P/c8-4-1-2-5(9)7(4)14-6(10)3-15(11,12)13/h1-3H2,(H2,11,12,13)
InChIKeyIIFQWJARJULMRK-UHFFFAOYSA-N
MW237.10 g/mol
LogP-1.23
Rot. Bonds3

About [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid

[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid (PubChem CID 130409235) has the molecular formula C6H8NO7P and a molecular weight of 237.10 g/mol. Its IUPAC name is [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid
PubChem CID130409235
Molecular FormulaC6H8NO7P
Molecular Weight237.10 g/mol
Exact Mass237.00
IUPAC Name[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid
SMILESO=C(CP(=O)(O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C6H8NO7P/c8-4-1-2-5(9)7(4)14-6(10)3-15(11,12)13/h1-3H2,(H2,11,12,13)
InChIKeyIIFQWJARJULMRK-UHFFFAOYSA-N
XLogP-1.23
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid (CID 130409235) is [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid is O=C(CP(=O)(O)O)ON1C(=O)CCC1=O.
What is the InChIKey of [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid?
The InChIKey is IIFQWJARJULMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO7P/c8-4-1-2-5(9)7(4)14-6(10)3-15(11,12)13/h1-3H2,(H2,11,12,13).
What are the key properties of [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid?
[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid has a molecular weight of 237.10 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 130409235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).