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

C10H16NO6P — CID 138602806

IUPAC[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid
SMILESCCCP(=O)(O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16NO6P/c1-2-6-18(15,16)7-5-10(14)17-11-8(12)3-4-9(11)13/h2-7H2,1H3,(H,15,16)
InChIKeyOYKNNYZXBIDXKT-UHFFFAOYSA-N
MW277.21 g/mol
LogP0.66
Rot. Bonds6

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

[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid (PubChem CID 138602806) has the molecular formula C10H16NO6P and a molecular weight of 277.21 g/mol. Its IUPAC name is [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid.

Molecular Properties

Compound Name[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid
PubChem CID138602806
Molecular FormulaC10H16NO6P
Molecular Weight277.21 g/mol
Exact Mass277.07
IUPAC Name[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid
SMILESCCCP(=O)(O)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16NO6P/c1-2-6-18(15,16)7-5-10(14)17-11-8(12)3-4-9(11)13/h2-7H2,1H3,(H,15,16)
InChIKeyOYKNNYZXBIDXKT-UHFFFAOYSA-N
XLogP0.66
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
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]-propylphosphinic acid?
The IUPAC name of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid (CID 138602806) is [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid.
What is the SMILES notation for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid?
The canonical SMILES for [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid is CCCP(=O)(O)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid?
The InChIKey is OYKNNYZXBIDXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO6P/c1-2-6-18(15,16)7-5-10(14)17-11-8(12)3-4-9(11)13/h2-7H2,1H3,(H,15,16).
What are the key properties of [3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid?
[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-propylphosphinic acid has a molecular weight of 277.21 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 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]-propylphosphinic acid is sourced from PubChem (CID 138602806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).