4,6-dioxopiperidine-2-carboxylic acid

C6H7NO4 — CID 76516314

IUPAC4,6-dioxopiperidine-2-carboxylic acid
SMILESO=C1CC(=O)NC(C(=O)O)C1
InChIInChI=1S/C6H7NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h4H,1-2H2,(H,7,9)(H,10,11)
InChIKeyJIOAUMVDGKPIAF-UHFFFAOYSA-N
MW157.12 g/mol
LogP-1.08
Rot. Bonds1

About 4,6-dioxopiperidine-2-carboxylic acid

4,6-dioxopiperidine-2-carboxylic acid (PubChem CID 76516314) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 4,6-dioxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dioxopiperidine-2-carboxylic acid
PubChem CID76516314
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name4,6-dioxopiperidine-2-carboxylic acid
SMILESO=C1CC(=O)NC(C(=O)O)C1
InChIInChI=1S/C6H7NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h4H,1-2H2,(H,7,9)(H,10,11)
InChIKeyJIOAUMVDGKPIAF-UHFFFAOYSA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dioxopiperidine-2-carboxylic acid?
The IUPAC name of 4,6-dioxopiperidine-2-carboxylic acid (CID 76516314) is 4,6-dioxopiperidine-2-carboxylic acid.
What is the SMILES notation for 4,6-dioxopiperidine-2-carboxylic acid?
The canonical SMILES for 4,6-dioxopiperidine-2-carboxylic acid is O=C1CC(=O)NC(C(=O)O)C1.
What is the InChIKey of 4,6-dioxopiperidine-2-carboxylic acid?
The InChIKey is JIOAUMVDGKPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h4H,1-2H2,(H,7,9)(H,10,11).
What are the key properties of 4,6-dioxopiperidine-2-carboxylic acid?
4,6-dioxopiperidine-2-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dioxopiperidine-2-carboxylic acid is sourced from PubChem (CID 76516314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).