[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid

C7H10NO7P — CID 175009652

IUPAC[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid
SMILESO=C(CCP(=O)(O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H10NO7P/c9-5-1-2-6(10)8(5)15-7(11)3-4-16(12,13)14/h1-4H2,(H2,12,13,14)
InChIKeyJIMDFSRDOMQOHL-UHFFFAOYSA-N
MW251.13 g/mol
LogP-0.84
Rot. Bonds4

About [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid

[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid (PubChem CID 175009652) has the molecular formula C7H10NO7P and a molecular weight of 251.13 g/mol. Its IUPAC name is [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid.

Molecular Properties

Compound Name[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid
PubChem CID175009652
Molecular FormulaC7H10NO7P
Molecular Weight251.13 g/mol
Exact Mass251.02
IUPAC Name[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid
SMILESO=C(CCP(=O)(O)O)ON1C(=O)CCC1=O
InChIInChI=1S/C7H10NO7P/c9-5-1-2-6(10)8(5)15-7(11)3-4-16(12,13)14/h1-4H2,(H2,12,13,14)
InChIKeyJIMDFSRDOMQOHL-UHFFFAOYSA-N
XLogP-0.84
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 5-0.84
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 [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid?
The IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid (CID 175009652) is [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid.
What is the SMILES notation for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid?
The canonical SMILES for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid is O=C(CCP(=O)(O)O)ON1C(=O)CCC1=O.
What is the InChIKey of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid?
The InChIKey is JIMDFSRDOMQOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO7P/c9-5-1-2-6(10)8(5)15-7(11)3-4-16(12,13)14/h1-4H2,(H2,12,13,14).
What are the key properties of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid?
[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid has a molecular weight of 251.13 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phosphonic acid is sourced from PubChem (CID 175009652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).