2-oxo-2-piperazin-1-ylacetic acid

C6H10N2O3 — CID 2050152

IUPAC2-oxo-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(=O)N1CCNCC1
InChIInChI=1S/C6H10N2O3/c9-5(6(10)11)8-3-1-7-2-4-8/h7H,1-4H2,(H,10,11)
InChIKeyOOLCKTWCPKNNOG-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.50
Rot. Bonds

About 2-oxo-2-piperazin-1-ylacetic acid

2-oxo-2-piperazin-1-ylacetic acid (PubChem CID 2050152) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-oxo-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-oxo-2-piperazin-1-ylacetic acid
PubChem CID2050152
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-oxo-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(=O)N1CCNCC1
InChIInChI=1S/C6H10N2O3/c9-5(6(10)11)8-3-1-7-2-4-8/h7H,1-4H2,(H,10,11)
InChIKeyOOLCKTWCPKNNOG-UHFFFAOYSA-N
XLogP-1.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
piperazine-1-carbothioic S-acid
CID 22219896
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 81115688
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
piperazine-1-carboxamide;zinc
CID 175213463
ethene;1-piperazin-1-ylethanone
CID 145071339
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
3-cyclopropyl-1-piperazin-1-ylpropane-1,2-dione
CID 82505588
1-(5-oxo-1,4-diazepan-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 63002706

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-oxo-2-piperazin-1-ylacetic acid (CID 2050152) is 2-oxo-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-oxo-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-oxo-2-piperazin-1-ylacetic acid is O=C(O)C(=O)N1CCNCC1.
What is the InChIKey of 2-oxo-2-piperazin-1-ylacetic acid?
The InChIKey is OOLCKTWCPKNNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-5(6(10)11)8-3-1-7-2-4-8/h7H,1-4H2,(H,10,11).
What are the key properties of 2-oxo-2-piperazin-1-ylacetic acid?
2-oxo-2-piperazin-1-ylacetic acid has a molecular weight of 158.16 g/mol, XLogP of -1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 2050152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).