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

C15H20N2O10P2 — CID 90178635

IUPAC[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid
SMILESO=C(CCP(=O)(O)CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H20N2O10P2/c18-11-1-2-12(19)16(11)6-8-29(25,26)10-9-28(23,24)7-5-15(22)27-17-13(20)3-4-14(17)21/h1-2H,3-10H2,(H,23,24)(H,25,26)
InChIKeyRTLRCFZDEQWNAI-UHFFFAOYSA-N
MW450.28 g/mol
LogP-0.55
Rot. Bonds10

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

[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid (PubChem CID 90178635) has the molecular formula C15H20N2O10P2 and a molecular weight of 450.28 g/mol. Its IUPAC name is [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid.

Molecular Properties

Compound Name[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid
PubChem CID90178635
Molecular FormulaC15H20N2O10P2
Molecular Weight450.28 g/mol
Exact Mass450.06
IUPAC Name[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid
SMILESO=C(CCP(=O)(O)CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C15H20N2O10P2/c18-11-1-2-12(19)16(11)6-8-29(25,26)10-9-28(23,24)7-5-15(22)27-17-13(20)3-4-14(17)21/h1-2H,3-10H2,(H,23,24)(H,25,26)
InChIKeyRTLRCFZDEQWNAI-UHFFFAOYSA-N
XLogP-0.55
TPSA175.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid?
The IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid (CID 90178635) is [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid.
What is the SMILES notation for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid?
The canonical SMILES for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid is O=C(CCP(=O)(O)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-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid?
The InChIKey is RTLRCFZDEQWNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O10P2/c18-11-1-2-12(19)16(11)6-8-29(25,26)10-9-28(23,24)7-5-15(22)27-17-13(20)3-4-14(17)21/h1-2H,3-10H2,(H,23,24)(H,25,26).
What are the key properties of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid?
[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid has a molecular weight of 450.28 g/mol, XLogP of -0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-[2-[2-(2,5-dioxopyrrol-1-yl)ethyl-hydroxyphosphoryl]ethyl]phosphinic acid is sourced from PubChem (CID 90178635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).