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

C10H18N2O2 — CID 140979385

IUPAC3-(2-prop-2-enylpiperazin-1-yl)propanoic acid
SMILESC=CCC1CNCCN1CCC(=O)O
InChIInChI=1S/C10H18N2O2/c1-2-3-9-8-11-5-7-12(9)6-4-10(13)14/h2,9,11H,1,3-8H2,(H,13,14)
InChIKeySUTSCTRBYGXBMN-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.31
Rot. Bonds5

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

3-(2-prop-2-enylpiperazin-1-yl)propanoic acid (PubChem CID 140979385) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-prop-2-enylpiperazin-1-yl)propanoic acid
PubChem CID140979385
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(2-prop-2-enylpiperazin-1-yl)propanoic acid
SMILESC=CCC1CNCCN1CCC(=O)O
InChIInChI=1S/C10H18N2O2/c1-2-3-9-8-11-5-7-12(9)6-4-10(13)14/h2,9,11H,1,3-8H2,(H,13,14)
InChIKeySUTSCTRBYGXBMN-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid (CID 140979385) is 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid is C=CCC1CNCCN1CCC(=O)O.
What is the InChIKey of 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid?
The InChIKey is SUTSCTRBYGXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-3-9-8-11-5-7-12(9)6-4-10(13)14/h2,9,11H,1,3-8H2,(H,13,14).
What are the key properties of 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid?
3-(2-prop-2-enylpiperazin-1-yl)propanoic acid has a molecular weight of 198.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 140979385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).