3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid

C11H15NO6 — CID 163541554

IUPAC3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid
SMILESCON1C(=O)CC(C2COCCC2C(=O)O)C1=O
InChIInChI=1S/C11H15NO6/c1-17-12-9(13)4-7(10(12)14)8-5-18-3-2-6(8)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyFBMWBLCIGICJBX-UHFFFAOYSA-N
MW257.24 g/mol
LogP-0.34
Rot. Bonds3

About 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid

3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid (PubChem CID 163541554) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid
PubChem CID163541554
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid
SMILESCON1C(=O)CC(C2COCCC2C(=O)O)C1=O
InChIInChI=1S/C11H15NO6/c1-17-12-9(13)4-7(10(12)14)8-5-18-3-2-6(8)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyFBMWBLCIGICJBX-UHFFFAOYSA-N
XLogP-0.34
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid?
The IUPAC name of 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid (CID 163541554) is 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid.
What is the SMILES notation for 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid?
The canonical SMILES for 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid is CON1C(=O)CC(C2COCCC2C(=O)O)C1=O.
What is the InChIKey of 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid?
The InChIKey is FBMWBLCIGICJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-17-12-9(13)4-7(10(12)14)8-5-18-3-2-6(8)11(15)16/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid?
3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid has a molecular weight of 257.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2,5-dioxopyrrolidin-3-yl)oxane-4-carboxylic acid is sourced from PubChem (CID 163541554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).