23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid

C27H47NO6 — CID 155487576

IUPAC23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C27H47NO6/c29-24-22-23-25(30)28(24)34-27(33)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-26(31)32/h1-23H2,(H,31,32)
InChIKeyAAIUGHARUSHELQ-UHFFFAOYSA-N
MW481.67 g/mol
LogP6.87
Rot. Bonds23

About 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid

23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid (PubChem CID 155487576) has the molecular formula C27H47NO6 and a molecular weight of 481.67 g/mol. Its IUPAC name is 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid.

Molecular Properties

Compound Name23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
PubChem CID155487576
Molecular FormulaC27H47NO6
Molecular Weight481.67 g/mol
Exact Mass481.34
IUPAC Name23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C27H47NO6/c29-24-22-23-25(30)28(24)34-27(33)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-26(31)32/h1-23H2,(H,31,32)
InChIKeyAAIUGHARUSHELQ-UHFFFAOYSA-N
XLogP6.87
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.67
LogP ≤ 56.87
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

15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propanoic acid
CID 121295380
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
CID 157191041
CID 157191041
(2S)-2-[[16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecanoyl]amino]pentanedioic acid
CID 175137846

Frequently Asked Questions

What is the IUPAC name of 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid?
The IUPAC name of 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid (CID 155487576) is 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid.
What is the SMILES notation for 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid?
The canonical SMILES for 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid?
The InChIKey is AAIUGHARUSHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO6/c29-24-22-23-25(30)28(24)34-27(33)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-26(31)32/h1-23H2,(H,31,32).
What are the key properties of 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid?
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid has a molecular weight of 481.67 g/mol, XLogP of 6.87, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid is sourced from PubChem (CID 155487576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).