3-(4-prop-2-enylpiperazin-1-yl)propanoic acid

C10H18N2O2 — CID 2756312

IUPAC3-(4-prop-2-enylpiperazin-1-yl)propanoic acid
SMILESC=CCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H18N2O2/c1-2-4-11-6-8-12(9-7-11)5-3-10(13)14/h2H,1,3-9H2,(H,13,14)
InChIKeyRPROIZNSRMNZFP-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.26
Rot. Bonds5

About 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid

3-(4-prop-2-enylpiperazin-1-yl)propanoic acid (PubChem CID 2756312) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-prop-2-enylpiperazin-1-yl)propanoic acid
PubChem CID2756312
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(4-prop-2-enylpiperazin-1-yl)propanoic acid
SMILESC=CCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H18N2O2/c1-2-4-11-6-8-12(9-7-11)5-3-10(13)14/h2H,1,3-9H2,(H,13,14)
InChIKeyRPROIZNSRMNZFP-UHFFFAOYSA-N
XLogP0.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-Methyl-allyl)-piperazin-1-YL]-propionic acid
CID 16394869
N,N-Diallyl-3-aminopropionic acid
CID 14382127
CID 58053079
CID 58053079
3-[Prop-2-enyl(propyl)amino]propanoic acid
CID 68545980
2-Carboxyethyl-tris(prop-2-enyl)azanium
CID 176307733
3-(1-Prop-2-enylpiperidin-1-ium-1-yl)propanoic acid
CID 178539003
3-Oxo-3-(4-prop-2-enylpiperazin-1-yl)propanoic acid
CID 2050810
3-(4-Prop-2-enoylpiperazin-1-yl)propanoic acid
CID 43522149
3-[4-(2-Chloroprop-2-enyl)piperazin-1-yl]propanoic acid
CID 43522319
3-[4-[(E)-but-2-enyl]piperazin-1-yl]propanoic acid
CID 43522320
3-[4-(3-Methylbut-2-enyl)piperazin-1-yl]propanoic acid
CID 43522321
3-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]propanoic acid
CID 43522322

Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid (CID 2756312) is 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid is C=CCN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid?
The InChIKey is RPROIZNSRMNZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-4-11-6-8-12(9-7-11)5-3-10(13)14/h2H,1,3-9H2,(H,13,14).
What are the key properties of 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid?
3-(4-prop-2-enylpiperazin-1-yl)propanoic acid has a molecular weight of 198.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-2-enylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 2756312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).