20-(2,5-dioxopyrrol-1-yl)icosanoic acid

C24H41NO4 — CID 18958346

IUPAC20-(2,5-dioxopyrrol-1-yl)icosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H41NO4/c26-22-19-20-23(27)25(22)21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24(28)29/h19-20H,1-18,21H2,(H,28,29)
InChIKeyOLCVJGHIGMCLFD-UHFFFAOYSA-N
MW407.60 g/mol
LogP6.02
Rot. Bonds20

About 20-(2,5-dioxopyrrol-1-yl)icosanoic acid

20-(2,5-dioxopyrrol-1-yl)icosanoic acid (PubChem CID 18958346) has the molecular formula C24H41NO4 and a molecular weight of 407.60 g/mol. Its IUPAC name is 20-(2,5-dioxopyrrol-1-yl)icosanoic acid.

Molecular Properties

Compound Name20-(2,5-dioxopyrrol-1-yl)icosanoic acid
PubChem CID18958346
Molecular FormulaC24H41NO4
Molecular Weight407.60 g/mol
Exact Mass407.30
IUPAC Name20-(2,5-dioxopyrrol-1-yl)icosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C24H41NO4/c26-22-19-20-23(27)25(22)21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24(28)29/h19-20H,1-18,21H2,(H,28,29)
InChIKeyOLCVJGHIGMCLFD-UHFFFAOYSA-N
XLogP6.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 20-(2,5-dioxopyrrol-1-yl)icosanoic acid?
The IUPAC name of 20-(2,5-dioxopyrrol-1-yl)icosanoic acid (CID 18958346) is 20-(2,5-dioxopyrrol-1-yl)icosanoic acid.
What is the SMILES notation for 20-(2,5-dioxopyrrol-1-yl)icosanoic acid?
The canonical SMILES for 20-(2,5-dioxopyrrol-1-yl)icosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 20-(2,5-dioxopyrrol-1-yl)icosanoic acid?
The InChIKey is OLCVJGHIGMCLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO4/c26-22-19-20-23(27)25(22)21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24(28)29/h19-20H,1-18,21H2,(H,28,29).
What are the key properties of 20-(2,5-dioxopyrrol-1-yl)icosanoic acid?
20-(2,5-dioxopyrrol-1-yl)icosanoic acid has a molecular weight of 407.60 g/mol, XLogP of 6.02, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(2,5-dioxopyrrol-1-yl)icosanoic acid is sourced from PubChem (CID 18958346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).