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

C10H16N2O3 — CID 43522149

IUPAC3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid
SMILESC=CC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-2-9(13)12-7-5-11(6-8-12)4-3-10(14)15/h2H,1,3-8H2,(H,14,15)
InChIKeyGJVFUBRTHTULSJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.21
Rot. Bonds4

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

3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid (PubChem CID 43522149) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid
PubChem CID43522149
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid
SMILESC=CC(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C10H16N2O3/c1-2-9(13)12-7-5-11(6-8-12)4-3-10(14)15/h2H,1,3-8H2,(H,14,15)
InChIKeyGJVFUBRTHTULSJ-UHFFFAOYSA-N
XLogP-0.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-prop-2-enoylpiperazin-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-prop-2-enoylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid (CID 43522149) is 3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid is C=CC(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid?
The InChIKey is GJVFUBRTHTULSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-9(13)12-7-5-11(6-8-12)4-3-10(14)15/h2H,1,3-8H2,(H,14,15).
What are the key properties of 3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid?
3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid has a molecular weight of 212.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-2-enoylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 43522149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).