1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate

C18H22N2O9 — CID 90373483

IUPAC1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESCCCC(OC(=O)CCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H22N2O9/c1-2-5-17(28-18(26)29-20-14(23)9-10-15(20)24)27-16(25)6-3-4-11-19-12(21)7-8-13(19)22/h7-8,17H,2-6,9-11H2,1H3
InChIKeyBIMKWHLXGDQUHT-UHFFFAOYSA-N
MW410.38 g/mol
LogP0.97
Rot. Bonds10

About 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate

1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate (PubChem CID 90373483) has the molecular formula C18H22N2O9 and a molecular weight of 410.38 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
PubChem CID90373483
Molecular FormulaC18H22N2O9
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESCCCC(OC(=O)CCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C18H22N2O9/c1-2-5-17(28-18(26)29-20-14(23)9-10-15(20)24)27-16(25)6-3-4-11-19-12(21)7-8-13(19)22/h7-8,17H,2-6,9-11H2,1H3
InChIKeyBIMKWHLXGDQUHT-UHFFFAOYSA-N
XLogP0.97
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 78323016
(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 78323017
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 78323018
[1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 78323331
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 90373077
[1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 90373189
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 90373293
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 90373391
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 6-[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoylamino]hexanoate
CID 90373392
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 90373430
[1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxy-2-methylpropyl] 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 90373464
1-(2,5-Dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 90373466

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate (CID 90373483) is 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate is CCCC(OC(=O)CCCCN1C(=O)C=CC1=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The InChIKey is BIMKWHLXGDQUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O9/c1-2-5-17(28-18(26)29-20-14(23)9-10-15(20)24)27-16(25)6-3-4-11-19-12(21)7-8-13(19)22/h7-8,17H,2-6,9-11H2,1H3.
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate?
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate has a molecular weight of 410.38 g/mol, XLogP of 0.97, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxybutyl 5-(2,5-dioxopyrrol-1-yl)pentanoate is sourced from PubChem (CID 90373483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).