4-oxo-4-piperazin-1-ylbutanoic acid

C8H14N2O3 — CID 833228

IUPAC4-oxo-4-piperazin-1-ylbutanoic acid
SMILESO=C(O)CCC(=O)N1CCNCC1
InChIInChI=1S/C8H14N2O3/c11-7(1-2-8(12)13)10-5-3-9-4-6-10/h9H,1-6H2,(H,12,13)
InChIKeyXBPFUNIGMQMISX-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.72
Rot. Bonds3

About 4-oxo-4-piperazin-1-ylbutanoic acid

4-oxo-4-piperazin-1-ylbutanoic acid (PubChem CID 833228) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-oxo-4-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-oxo-4-piperazin-1-ylbutanoic acid
PubChem CID833228
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-oxo-4-piperazin-1-ylbutanoic acid
SMILESO=C(O)CCC(=O)N1CCNCC1
InChIInChI=1S/C8H14N2O3/c11-7(1-2-8(12)13)10-5-3-9-4-6-10/h9H,1-6H2,(H,12,13)
InChIKeyXBPFUNIGMQMISX-UHFFFAOYSA-N
XLogP-0.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-oxo-4-piperazin-1-ylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-piperazin-1-ylbutanoic acid?
The IUPAC name of 4-oxo-4-piperazin-1-ylbutanoic acid (CID 833228) is 4-oxo-4-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 4-oxo-4-piperazin-1-ylbutanoic acid?
The canonical SMILES for 4-oxo-4-piperazin-1-ylbutanoic acid is O=C(O)CCC(=O)N1CCNCC1.
What is the InChIKey of 4-oxo-4-piperazin-1-ylbutanoic acid?
The InChIKey is XBPFUNIGMQMISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-7(1-2-8(12)13)10-5-3-9-4-6-10/h9H,1-6H2,(H,12,13).
What are the key properties of 4-oxo-4-piperazin-1-ylbutanoic acid?
4-oxo-4-piperazin-1-ylbutanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 833228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).