[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid

C13H15N2O8P — CID 118342136

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

[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid (PubChem CID 118342136) has the molecular formula C13H15N2O8P and a molecular weight of 358.24 g/mol. Its IUPAC name is [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid.

Molecular Properties

• Compound Name: [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid
• PubChem CID: 118342136
• Molecular Formula: C13H15N2O8P
• Molecular Weight: 358.24 g/mol
• Exact Mass: 358.06
• IUPAC Name: [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid
• SMILES: O=C(CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C13H15N2O8P/c16-9-1-2-10(17)14(9)6-8-24(21,22)7-5-13(20)23-15-11(18)3-4-12(15)19/h1-2H,3-8H2,(H,21,22)
• InChIKey: IGFSHISMAJTSLJ-UHFFFAOYSA-N
• XLogP: -0.82
• TPSA: 138.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.24
LogP ≤ 5	-0.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid?

The IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid (CID 118342136) is [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid.

What is the SMILES notation for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid?

The canonical SMILES for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid is O=C(CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.

What is the InChIKey of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid?

The InChIKey is IGFSHISMAJTSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O8P/c16-9-1-2-10(17)14(9)6-8-24(21,22)7-5-13(20)23-15-11(18)3-4-12(15)19/h1-2H,3-8H2,(H,21,22).

What are the key properties of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid?

[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid has a molecular weight of 358.24 g/mol, XLogP of -0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-(2,5-dioxopyrrol-1-yl)ethyl]phosphinic acid is sourced from PubChem (CID 118342136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).