15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid

C19H31NO6 — CID 15230808

IUPAC15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H31NO6/c21-16-14-15-17(22)20(16)26-19(25)13-11-9-7-5-3-1-2-4-6-8-10-12-18(23)24/h1-15H2,(H,23,24)
InChIKeyIVAPGVKHRYQVCL-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.75
Rot. Bonds15

About 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid

15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid (PubChem CID 15230808) has the molecular formula C19H31NO6 and a molecular weight of 369.46 g/mol. Its IUPAC name is 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid.

Molecular Properties

Compound Name15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid
PubChem CID15230808
Molecular FormulaC19H31NO6
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Name15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C19H31NO6/c21-16-14-15-17(22)20(16)26-19(25)13-11-9-7-5-3-1-2-4-6-8-10-12-18(23)24/h1-15H2,(H,23,24)
InChIKeyIVAPGVKHRYQVCL-UHFFFAOYSA-N
XLogP3.75
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid?
The IUPAC name of 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid (CID 15230808) is 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid.
What is the SMILES notation for 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid?
The canonical SMILES for 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid is O=C(O)CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid?
The InChIKey is IVAPGVKHRYQVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO6/c21-16-14-15-17(22)20(16)26-19(25)13-11-9-7-5-3-1-2-4-6-8-10-12-18(23)24/h1-15H2,(H,23,24).
What are the key properties of 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid?
15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid has a molecular weight of 369.46 g/mol, XLogP of 3.75, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2,5-dioxopyrrolidin-1-yl)oxy-15-oxopentadecanoic acid is sourced from PubChem (CID 15230808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).