2-(4-but-2-enylpiperazin-1-yl)propanoic acid

C11H20N2O2 — CID 76939170

IUPAC2-(4-but-2-enylpiperazin-1-yl)propanoic acid
SMILESCC=CCN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-3-4-5-12-6-8-13(9-7-12)10(2)11(14)15/h3-4,10H,5-9H2,1-2H3,(H,14,15)
InChIKeyPIRGOIKNYKIUCZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.65
Rot. Bonds4

About 2-(4-but-2-enylpiperazin-1-yl)propanoic acid

2-(4-but-2-enylpiperazin-1-yl)propanoic acid (PubChem CID 76939170) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(4-but-2-enylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-but-2-enylpiperazin-1-yl)propanoic acid
PubChem CID76939170
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(4-but-2-enylpiperazin-1-yl)propanoic acid
SMILESCC=CCN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C11H20N2O2/c1-3-4-5-12-6-8-13(9-7-12)10(2)11(14)15/h3-4,10H,5-9H2,1-2H3,(H,14,15)
InChIKeyPIRGOIKNYKIUCZ-UHFFFAOYSA-N
XLogP0.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-but-2-enylpiperazin-1-yl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[(Z)-but-2-enyl]aziridine
CID 5362970
1-[(E)-but-2-enyl]aziridine
CID 5362969
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
CID 65062556
2-(4-prop-2-ynylpiperazin-1-yl)propanoic acid
CID 62311285
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
CID 62310293
(2S)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]propanoic acid
CID 94397150
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-2-enylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-but-2-enylpiperazin-1-yl)propanoic acid (CID 76939170) is 2-(4-but-2-enylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-but-2-enylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-but-2-enylpiperazin-1-yl)propanoic acid is CC=CCN1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-but-2-enylpiperazin-1-yl)propanoic acid?
The InChIKey is PIRGOIKNYKIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-5-12-6-8-13(9-7-12)10(2)11(14)15/h3-4,10H,5-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-but-2-enylpiperazin-1-yl)propanoic acid?
2-(4-but-2-enylpiperazin-1-yl)propanoic acid has a molecular weight of 212.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-enylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 76939170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).