2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid

C13H17N2O7P — CID 138602822

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid
SMILESO=C(CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1CCCC1=O
InChIInChI=1S/C13H17N2O7P/c16-10-3-4-11(17)14(10)7-9-23(20,21)8-5-13(19)22-15-6-1-2-12(15)18/h3-4H,1-2,5-9H2,(H,20,21)
InChIKeyNRJLQTARBRQPFL-UHFFFAOYSA-N
MW344.26 g/mol
LogP-0.35
Rot. Bonds7

About 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid

2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid (PubChem CID 138602822) has the molecular formula C13H17N2O7P and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid
PubChem CID138602822
Molecular FormulaC13H17N2O7P
Molecular Weight344.26 g/mol
Exact Mass344.08
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid
SMILESO=C(CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1CCCC1=O
InChIInChI=1S/C13H17N2O7P/c16-10-3-4-11(17)14(10)7-9-23(20,21)8-5-13(19)22-15-6-1-2-12(15)18/h3-4H,1-2,5-9H2,(H,20,21)
InChIKeyNRJLQTARBRQPFL-UHFFFAOYSA-N
XLogP-0.35
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid (CID 138602822) is 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid is O=C(CCP(=O)(O)CCN1C(=O)C=CC1=O)ON1CCCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid?
The InChIKey is NRJLQTARBRQPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O7P/c16-10-3-4-11(17)14(10)7-9-23(20,21)8-5-13(19)22-15-6-1-2-12(15)18/h3-4H,1-2,5-9H2,(H,20,21).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid?
2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid has a molecular weight of 344.26 g/mol, XLogP of -0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-oxopyrrolidin-1-yl)oxypropyl]phosphinic acid is sourced from PubChem (CID 138602822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).