8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid

C12H17NO6 — CID 71340631

IUPAC8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H17NO6/c14-9-7-8-10(15)13(9)19-12(18)6-4-2-1-3-5-11(16)17/h1-8H2,(H,16,17)
InChIKeyNVWKYNBWYYJZTK-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.02
Rot. Bonds8

About 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid

8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid (PubChem CID 71340631) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid
PubChem CID71340631
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C12H17NO6/c14-9-7-8-10(15)13(9)19-12(18)6-4-2-1-3-5-11(16)17/h1-8H2,(H,16,17)
InChIKeyNVWKYNBWYYJZTK-UHFFFAOYSA-N
XLogP1.02
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.02
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 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid?
The IUPAC name of 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid (CID 71340631) is 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid.
What is the SMILES notation for 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid?
The canonical SMILES for 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid?
The InChIKey is NVWKYNBWYYJZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c14-9-7-8-10(15)13(9)19-12(18)6-4-2-1-3-5-11(16)17/h1-8H2,(H,16,17).
What are the key properties of 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid?
8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid has a molecular weight of 271.27 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctanoic acid is sourced from PubChem (CID 71340631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).