(2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate

C19H24N2O12 — CID 145408322

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
SMILESCOCC(=O)ON1C(=O)CCC1=O.O=C(COC1COC2CCOC21)ON1C(=O)CCC1=O
InChIInChI=1S/C12H15NO7.C7H9NO5/c14-9-1-2-10(15)13(9)20-11(16)6-19-8-5-18-7-3-4-17-12(7)8;1-12-4-7(11)13-8-5(9)2-3-6(8)10/h7-8,12H,1-6H2;2-4H2,1H3
InChIKeyOAWCPZFDQLJUHC-UHFFFAOYSA-N
MW472.40 g/mol
LogP-1.59
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate

(2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate (PubChem CID 145408322) has the molecular formula C19H24N2O12 and a molecular weight of 472.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
PubChem CID145408322
Molecular FormulaC19H24N2O12
Molecular Weight472.40 g/mol
Exact Mass472.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate
SMILESCOCC(=O)ON1C(=O)CCC1=O.O=C(COC1COC2CCOC21)ON1C(=O)CCC1=O
InChIInChI=1S/C12H15NO7.C7H9NO5/c14-9-1-2-10(15)13(9)20-11(16)6-19-8-5-18-7-3-4-17-12(7)8;1-12-4-7(11)13-8-5(9)2-3-6(8)10/h7-8,12H,1-6H2;2-4H2,1H3
InChIKeyOAWCPZFDQLJUHC-UHFFFAOYSA-N
XLogP-1.59
TPSA164.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.40
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate (CID 145408322) is (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate is COCC(=O)ON1C(=O)CCC1=O.O=C(COC1COC2CCOC21)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate?
The InChIKey is OAWCPZFDQLJUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO7.C7H9NO5/c14-9-1-2-10(15)13(9)20-11(16)6-19-8-5-18-7-3-4-17-12(7)8;1-12-4-7(11)13-8-5(9)2-3-6(8)10/h7-8,12H,1-6H2;2-4H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate?
(2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate has a molecular weight of 472.40 g/mol, XLogP of -1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)acetate;(2,5-dioxopyrrolidin-1-yl) 2-methoxyacetate is sourced from PubChem (CID 145408322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).