2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate

C11H20N2O3 — CID 28705042

IUPAC2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate
SMILESCC(C)(C)C(=O)N1CC[NH+](CC(=O)[O-])CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)10(16)13-6-4-12(5-7-13)8-9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyGQPKGYFUFXXAPC-UHFFFAOYSA-N
MW228.29 g/mol
LogP-2.49
Rot. Bonds2

About 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate

2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate (PubChem CID 28705042) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate
PubChem CID28705042
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate
SMILESCC(C)(C)C(=O)N1CC[NH+](CC(=O)[O-])CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)10(16)13-6-4-12(5-7-13)8-9(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyGQPKGYFUFXXAPC-UHFFFAOYSA-N
XLogP-2.49
TPSA64.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-2.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate 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 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate?
The IUPAC name of 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate (CID 28705042) is 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate.
What is the SMILES notation for 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate?
The canonical SMILES for 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate is CC(C)(C)C(=O)N1CC[NH+](CC(=O)[O-])CC1.
What is the InChIKey of 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate?
The InChIKey is GQPKGYFUFXXAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)10(16)13-6-4-12(5-7-13)8-9(14)15/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate?
2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate has a molecular weight of 228.29 g/mol, XLogP of -2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropanoyl)piperazin-1-ium-1-yl]acetate is sourced from PubChem (CID 28705042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).