20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid

C24H41NO6 — CID 15289552

IUPAC20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H41NO6/c26-21-19-20-22(27)25(21)31-24(30)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-23(28)29/h1-20H2,(H,28,29)
InChIKeyJZQWKVYTQNGTOT-UHFFFAOYSA-N
MW439.59 g/mol
LogP5.70
Rot. Bonds20

About 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid

20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid (PubChem CID 15289552) has the molecular formula C24H41NO6 and a molecular weight of 439.59 g/mol. Its IUPAC name is 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid.

Molecular Properties

Compound Name20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid
PubChem CID15289552
Molecular FormulaC24H41NO6
Molecular Weight439.59 g/mol
Exact Mass439.29
IUPAC Name20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H41NO6/c26-21-19-20-22(27)25(21)31-24(30)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-23(28)29/h1-20H2,(H,28,29)
InChIKeyJZQWKVYTQNGTOT-UHFFFAOYSA-N
XLogP5.70
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid?
The IUPAC name of 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid (CID 15289552) is 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid.
What is the SMILES notation for 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid?
The canonical SMILES for 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid?
The InChIKey is JZQWKVYTQNGTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO6/c26-21-19-20-22(27)25(21)31-24(30)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-23(28)29/h1-20H2,(H,28,29).
What are the key properties of 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid?
20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid has a molecular weight of 439.59 g/mol, XLogP of 5.70, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(2,5-dioxopyrrolidin-1-yl)oxy-20-oxoicosanoic acid is sourced from PubChem (CID 15289552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).