5,6-dioxopiperazine-2-carboxylic acid

C5H6N2O4 — CID 45082279

IUPAC5,6-dioxopiperazine-2-carboxylic acid
SMILESO=C1NCC(C(=O)O)NC1=O
InChIInChI=1S/C5H6N2O4/c8-3-4(9)7-2(1-6-3)5(10)11/h2H,1H2,(H,6,8)(H,7,9)(H,10,11)
InChIKeyLZUXNCPUPSCKNF-UHFFFAOYSA-N
MW158.11 g/mol
LogP-2.31
Rot. Bonds1

About 5,6-dioxopiperazine-2-carboxylic acid

5,6-dioxopiperazine-2-carboxylic acid (PubChem CID 45082279) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 5,6-dioxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dioxopiperazine-2-carboxylic acid
PubChem CID45082279
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name5,6-dioxopiperazine-2-carboxylic acid
SMILESO=C1NCC(C(=O)O)NC1=O
InChIInChI=1S/C5H6N2O4/c8-3-4(9)7-2(1-6-3)5(10)11/h2H,1H2,(H,6,8)(H,7,9)(H,10,11)
InChIKeyLZUXNCPUPSCKNF-UHFFFAOYSA-N
XLogP-2.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dioxopiperazine-2-carboxylic acid?
The IUPAC name of 5,6-dioxopiperazine-2-carboxylic acid (CID 45082279) is 5,6-dioxopiperazine-2-carboxylic acid.
What is the SMILES notation for 5,6-dioxopiperazine-2-carboxylic acid?
The canonical SMILES for 5,6-dioxopiperazine-2-carboxylic acid is O=C1NCC(C(=O)O)NC1=O.
What is the InChIKey of 5,6-dioxopiperazine-2-carboxylic acid?
The InChIKey is LZUXNCPUPSCKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c8-3-4(9)7-2(1-6-3)5(10)11/h2H,1H2,(H,6,8)(H,7,9)(H,10,11).
What are the key properties of 5,6-dioxopiperazine-2-carboxylic acid?
5,6-dioxopiperazine-2-carboxylic acid has a molecular weight of 158.11 g/mol, XLogP of -2.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dioxopiperazine-2-carboxylic acid is sourced from PubChem (CID 45082279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).