3-(4-ethylpiperazin-1-yl)propanoic acid

C9H18N2O2 — CID 3155212

IUPAC3-(4-ethylpiperazin-1-yl)propanoic acid
SMILESCCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-10-5-7-11(8-6-10)4-3-9(12)13/h2-8H2,1H3,(H,12,13)
InChIKeyIIFIFJPUSDQJBR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.10
Rot. Bonds4

About 3-(4-ethylpiperazin-1-yl)propanoic acid

3-(4-ethylpiperazin-1-yl)propanoic acid (PubChem CID 3155212) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)propanoic acid
PubChem CID3155212
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(4-ethylpiperazin-1-yl)propanoic acid
SMILESCCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-2-10-5-7-11(8-6-10)4-3-9(12)13/h2-8H2,1H3,(H,12,13)
InChIKeyIIFIFJPUSDQJBR-UHFFFAOYSA-N
XLogP0.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)propanoic acid (CID 3155212) is 3-(4-ethylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)propanoic acid is CCN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)propanoic acid?
The InChIKey is IIFIFJPUSDQJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-10-5-7-11(8-6-10)4-3-9(12)13/h2-8H2,1H3,(H,12,13).
What are the key properties of 3-(4-ethylpiperazin-1-yl)propanoic acid?
3-(4-ethylpiperazin-1-yl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 3155212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).