22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid

C26H45NO6 — CID 15289553

IUPAC22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C26H45NO6/c28-23-21-22-24(29)27(23)33-26(32)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-25(30)31/h1-22H2,(H,30,31)
InChIKeyZWXQGPIVWTXARP-UHFFFAOYSA-N
MW467.65 g/mol
LogP6.48
Rot. Bonds22

About 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid

22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid (PubChem CID 15289553) has the molecular formula C26H45NO6 and a molecular weight of 467.65 g/mol. Its IUPAC name is 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid.

Molecular Properties

Compound Name22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid
PubChem CID15289553
Molecular FormulaC26H45NO6
Molecular Weight467.65 g/mol
Exact Mass467.32
IUPAC Name22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C26H45NO6/c28-23-21-22-24(29)27(23)33-26(32)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-25(30)31/h1-22H2,(H,30,31)
InChIKeyZWXQGPIVWTXARP-UHFFFAOYSA-N
XLogP6.48
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 56.48
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'}

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Related Compounds

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CID 3430836
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CID 12535336
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CID 2802515
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CID 4229289
CID 4229289
CID 4620598
CID 4620598
CID 71340631
CID 71340631
CID 132010223
CID 132010223
CID 3542774
CID 3542774
CID 12184763
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CID 13362570
CID 13362570
CID 87234013
CID 87234013

Frequently Asked Questions

What is the IUPAC name of 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid?
The IUPAC name of 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid (CID 15289553) is 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid.
What is the SMILES notation for 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid?
The canonical SMILES for 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid?
The InChIKey is ZWXQGPIVWTXARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO6/c28-23-21-22-24(29)27(23)33-26(32)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-25(30)31/h1-22H2,(H,30,31).
What are the key properties of 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid?
22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid has a molecular weight of 467.65 g/mol, XLogP of 6.48, 22 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(2,5-dioxopyrrolidin-1-yl)oxy-22-oxodocosanoic acid is sourced from PubChem (CID 15289553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).