5-oxopiperazine-2-carboxylic acid

C5H8N2O3 — CID 21304731

IUPAC5-oxopiperazine-2-carboxylic acid
SMILESO=C1CNC(C(=O)O)CN1
InChIInChI=1S/C5H8N2O3/c8-4-2-6-3(1-7-4)5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyCJFBRFWMGHQBFJ-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.84
Rot. Bonds1

About 5-oxopiperazine-2-carboxylic acid

5-oxopiperazine-2-carboxylic acid (PubChem CID 21304731) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxopiperazine-2-carboxylic acid
PubChem CID21304731
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name5-oxopiperazine-2-carboxylic acid
SMILESO=C1CNC(C(=O)O)CN1
InChIInChI=1S/C5H8N2O3/c8-4-2-6-3(1-7-4)5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChIKeyCJFBRFWMGHQBFJ-UHFFFAOYSA-N
XLogP-1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 5-oxopiperazine-2-carboxylic acid (CID 21304731) is 5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 5-oxopiperazine-2-carboxylic acid is O=C1CNC(C(=O)O)CN1.
What is the InChIKey of 5-oxopiperazine-2-carboxylic acid?
The InChIKey is CJFBRFWMGHQBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c8-4-2-6-3(1-7-4)5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10).
What are the key properties of 5-oxopiperazine-2-carboxylic acid?
5-oxopiperazine-2-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 21304731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).