2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid

C13H26N2O2 — CID 65062556

IUPAC2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
SMILESCCC(CC)CN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-12(5-2)10-14-6-8-15(9-7-14)11(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyUGDASJFRQSJCAP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid

2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid (PubChem CID 65062556) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
PubChem CID65062556
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
SMILESCCC(CC)CN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-12(5-2)10-14-6-8-15(9-7-14)11(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyUGDASJFRQSJCAP-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
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2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
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2-(4-nonylpiperazin-1-yl)propanoic acid
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2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
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2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
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2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-(4-prop-2-ynylpiperazin-1-yl)propanoic acid
CID 62311285
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
(2S)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]propanoic acid
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2-(4-but-2-enylpiperazin-1-yl)propanoic acid
CID 76939170
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid (CID 65062556) is 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid is CCC(CC)CN1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid?
The InChIKey is UGDASJFRQSJCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12(5-2)10-14-6-8-15(9-7-14)11(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid?
2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65062556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).