[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid

C8H12NO7P — CID 90296717

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid
SMILESO=C(CCCP(=O)(O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12NO7P/c10-6-3-4-7(11)9(6)16-8(12)2-1-5-17(13,14)15/h1-5H2,(H2,13,14,15)
InChIKeyOWNUKHRFWIYXEC-UHFFFAOYSA-N
MW265.16 g/mol
LogP-0.45
Rot. Bonds5

About [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid

[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid (PubChem CID 90296717) has the molecular formula C8H12NO7P and a molecular weight of 265.16 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid
PubChem CID90296717
Molecular FormulaC8H12NO7P
Molecular Weight265.16 g/mol
Exact Mass265.04
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid
SMILESO=C(CCCP(=O)(O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12NO7P/c10-6-3-4-7(11)9(6)16-8(12)2-1-5-17(13,14)15/h1-5H2,(H2,13,14,15)
InChIKeyOWNUKHRFWIYXEC-UHFFFAOYSA-N
XLogP-0.45
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 5-0.45
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 [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid (CID 90296717) is [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid is O=C(CCCP(=O)(O)O)ON1C(=O)CCC1=O.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid?
The InChIKey is OWNUKHRFWIYXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO7P/c10-6-3-4-7(11)9(6)16-8(12)2-1-5-17(13,14)15/h1-5H2,(H2,13,14,15).
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid?
[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid has a molecular weight of 265.16 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphonic acid is sourced from PubChem (CID 90296717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).