16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid

C20H33NO6 — CID 15289550

IUPAC16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H33NO6/c22-17-15-16-18(23)21(17)27-20(26)14-12-10-8-6-4-2-1-3-5-7-9-11-13-19(24)25/h1-16H2,(H,24,25)
InChIKeyQRWUNOOWWYIZGI-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.14
Rot. Bonds16

About 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid

16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid (PubChem CID 15289550) has the molecular formula C20H33NO6 and a molecular weight of 383.49 g/mol. Its IUPAC name is 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid.

Molecular Properties

Compound Name16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid
PubChem CID15289550
Molecular FormulaC20H33NO6
Molecular Weight383.49 g/mol
Exact Mass383.23
IUPAC Name16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H33NO6/c22-17-15-16-18(23)21(17)27-20(26)14-12-10-8-6-4-2-1-3-5-7-9-11-13-19(24)25/h1-16H2,(H,24,25)
InChIKeyQRWUNOOWWYIZGI-UHFFFAOYSA-N
XLogP4.14
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.14
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 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid?
The IUPAC name of 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid (CID 15289550) is 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid.
What is the SMILES notation for 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid?
The canonical SMILES for 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid is O=C(O)CCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid?
The InChIKey is QRWUNOOWWYIZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO6/c22-17-15-16-18(23)21(17)27-20(26)14-12-10-8-6-4-2-1-3-5-7-9-11-13-19(24)25/h1-16H2,(H,24,25).
What are the key properties of 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid?
16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid has a molecular weight of 383.49 g/mol, XLogP of 4.14, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoic acid is sourced from PubChem (CID 15289550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).