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

C12H24N2O3 — CID 106454666

IUPAC2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
SMILESCCCOCCN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C12H24N2O3/c1-3-9-17-10-8-13-4-6-14(7-5-13)11(2)12(15)16/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyJEXFEHDQDJBXKO-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.50
Rot. Bonds7

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

2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid (PubChem CID 106454666) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
PubChem CID106454666
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
SMILESCCCOCCN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C12H24N2O3/c1-3-9-17-10-8-13-4-6-14(7-5-13)11(2)12(15)16/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyJEXFEHDQDJBXKO-UHFFFAOYSA-N
XLogP0.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-butoxyethyl)piperazin-1-yl]propanoic acid
CID 62311492
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
(2S)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]propanoic acid
CID 94397150
2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
CID 62312469
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
CID 65062556
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174949673

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid (CID 106454666) is 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid is CCCOCCN1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid?
The InChIKey is JEXFEHDQDJBXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-9-17-10-8-13-4-6-14(7-5-13)11(2)12(15)16/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid?
2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 106454666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).