3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid

C10H17ClN2O2 — CID 43522319

IUPAC3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid
SMILESC=C(Cl)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H17ClN2O2/c1-9(11)8-13-6-4-12(5-7-13)3-2-10(14)15/h1-8H2,(H,14,15)
InChIKeyNBDBMJYJFONPQX-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.83
Rot. Bonds5

About 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid

3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid (PubChem CID 43522319) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid
PubChem CID43522319
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid
SMILESC=C(Cl)CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H17ClN2O2/c1-9(11)8-13-6-4-12(5-7-13)3-2-10(14)15/h1-8H2,(H,14,15)
InChIKeyNBDBMJYJFONPQX-UHFFFAOYSA-N
XLogP0.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-chloroprop-2-enyl)piperazin-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid (CID 43522319) is 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid is C=C(Cl)CN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid?
The InChIKey is NBDBMJYJFONPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-9(11)8-13-6-4-12(5-7-13)3-2-10(14)15/h1-8H2,(H,14,15).
What are the key properties of 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid?
3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid has a molecular weight of 232.71 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloroprop-2-enyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).