19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid

C23H39NO6 — CID 15230809

IUPAC19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H39NO6/c25-20-18-19-21(26)24(20)30-23(29)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22(27)28/h1-19H2,(H,27,28)
InChIKeyMKJPXPNWIWXLSY-UHFFFAOYSA-N
MW425.57 g/mol
LogP5.31
Rot. Bonds19

About 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid

19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid (PubChem CID 15230809) has the molecular formula C23H39NO6 and a molecular weight of 425.57 g/mol. Its IUPAC name is 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid.

Molecular Properties

Compound Name19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid
PubChem CID15230809
Molecular FormulaC23H39NO6
Molecular Weight425.57 g/mol
Exact Mass425.28
IUPAC Name19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H39NO6/c25-20-18-19-21(26)24(20)30-23(29)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22(27)28/h1-19H2,(H,27,28)
InChIKeyMKJPXPNWIWXLSY-UHFFFAOYSA-N
XLogP5.31
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 55.31
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 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid?
The IUPAC name of 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid (CID 15230809) is 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid.
What is the SMILES notation for 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid?
The canonical SMILES for 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid?
The InChIKey is MKJPXPNWIWXLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO6/c25-20-18-19-21(26)24(20)30-23(29)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22(27)28/h1-19H2,(H,27,28).
What are the key properties of 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid?
19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid has a molecular weight of 425.57 g/mol, XLogP of 5.31, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(2,5-dioxopyrrolidin-1-yl)oxy-19-oxononadecanoic acid is sourced from PubChem (CID 15230809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).