(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate

C14H14N2O9 — CID 78323015

IUPAC(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H14N2O9/c17-9-3-4-10(18)15(9)7-1-2-13(21)23-8-24-14(22)25-16-11(19)5-6-12(16)20/h3-4H,1-2,5-8H2
InChIKeySWRGJDUMNJODEW-UHFFFAOYSA-N
MW354.27 g/mol
LogP-0.59
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate

(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 78323015) has the molecular formula C14H14N2O9 and a molecular weight of 354.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
PubChem CID78323015
Molecular FormulaC14H14N2O9
Molecular Weight354.27 g/mol
Exact Mass354.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H14N2O9/c17-9-3-4-10(18)15(9)7-1-2-13(21)23-8-24-14(22)25-16-11(19)5-6-12(16)20/h3-4H,1-2,5-8H2
InChIKeySWRGJDUMNJODEW-UHFFFAOYSA-N
XLogP-0.59
TPSA136.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate (CID 78323015) is (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate is O=C(CCCN1C(=O)C=CC1=O)OCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is SWRGJDUMNJODEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O9/c17-9-3-4-10(18)15(9)7-1-2-13(21)23-8-24-14(22)25-16-11(19)5-6-12(16)20/h3-4H,1-2,5-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 354.27 g/mol, XLogP of -0.59, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 4-(2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 78323015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).