4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate

C16H24NO7- — CID 155696616

IUPAC4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate
SMILESCC(C)(COCC(C)(C)CC(=O)ON1C(=O)CCC1=O)CC(=O)[O-]
InChIInChI=1S/C16H25NO7/c1-15(2,7-13(20)21)9-23-10-16(3,4)8-14(22)24-17-11(18)5-6-12(17)19/h5-10H2,1-4H3,(H,20,21)/p-1
InChIKeyQAKOZESLXRUXGK-UHFFFAOYSA-M
MW342.37 g/mol
LogP0.19
Rot. Bonds9

About 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate

4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate (PubChem CID 155696616) has the molecular formula C16H24NO7- and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate.

Molecular Properties

Compound Name4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate
PubChem CID155696616
Molecular FormulaC16H24NO7-
Molecular Weight342.37 g/mol
Exact Mass342.16
IUPAC Name4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate
SMILESCC(C)(COCC(C)(C)CC(=O)ON1C(=O)CCC1=O)CC(=O)[O-]
InChIInChI=1S/C16H25NO7/c1-15(2,7-13(20)21)9-23-10-16(3,4)8-14(22)24-17-11(18)5-6-12(17)19/h5-10H2,1-4H3,(H,20,21)/p-1
InChIKeyQAKOZESLXRUXGK-UHFFFAOYSA-M
XLogP0.19
TPSA113.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3,3-dimethyl-4-phenylmethoxybutanoate
CID 122360016
1-O-(2,5-dioxopyrrolidin-1-yl) 5-O-[3-[3-[5-(2,5-dioxopyrrolidin-1-yl)oxy-3-methyl-5-oxopentanoyl]oxy-2,2-dimethylpropoxy]-2,2-dimethylpropyl] 3-methylpentanedioate
CID 126611155
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
tert-butyl 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
CID 162050928
[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-trimethylazanium bromide
CID 71752826
(2,5-dioxopyrrolidin-1-yl) 3-(3-acetylsulfanyl-3-methylbutoxy)-3-methylbutanoate
CID 142096577
3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxo-1,1-bis(sulfanyl)propane-1-sulfonic acid
CID 57450732
tert-butyl carbamate;(2,5-dioxopyrrolidin-1-yl) 2-aminoacetate
CID 143366500
4-[4-[6-(2,5-dioxopyrrolidin-1-yl)oxy-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylbutan-2-yl]oxy-4-oxobutanoate
CID 142859189
(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
CID 10352427
CID 20768516
CID 20768516
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate?
The IUPAC name of 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate (CID 155696616) is 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate.
What is the SMILES notation for 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate?
The canonical SMILES for 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate is CC(C)(COCC(C)(C)CC(=O)ON1C(=O)CCC1=O)CC(=O)[O-].
What is the InChIKey of 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate?
The InChIKey is QAKOZESLXRUXGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H25NO7/c1-15(2,7-13(20)21)9-23-10-16(3,4)8-14(22)24-17-11(18)5-6-12(17)19/h5-10H2,1-4H3,(H,20,21)/p-1.
What are the key properties of 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate?
4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate has a molecular weight of 342.37 g/mol, XLogP of 0.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-2,2-dimethyl-4-oxobutoxy]-3,3-dimethylbutanoate is sourced from PubChem (CID 155696616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).