2-methyl-2-piperazin-1-ylpropanoic acid

C8H16N2O2 — CID 54857389

IUPAC2-methyl-2-piperazin-1-ylpropanoic acid
SMILESCC(C)(C(=O)O)N1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-8(2,7(11)12)10-5-3-9-4-6-10/h9H,3-6H2,1-2H3,(H,11,12)
InChIKeyGJWWEBIRTIIEGM-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds2

About 2-methyl-2-piperazin-1-ylpropanoic acid

2-methyl-2-piperazin-1-ylpropanoic acid (PubChem CID 54857389) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-ylpropanoic acid
PubChem CID54857389
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-methyl-2-piperazin-1-ylpropanoic acid
SMILESCC(C)(C(=O)O)N1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-8(2,7(11)12)10-5-3-9-4-6-10/h9H,3-6H2,1-2H3,(H,11,12)
InChIKeyGJWWEBIRTIIEGM-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-piperazin-1-ylpropanoic acid 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-methyl-2-piperazin-1-ylpropanoic acid?
The IUPAC name of 2-methyl-2-piperazin-1-ylpropanoic acid (CID 54857389) is 2-methyl-2-piperazin-1-ylpropanoic acid.
What is the SMILES notation for 2-methyl-2-piperazin-1-ylpropanoic acid?
The canonical SMILES for 2-methyl-2-piperazin-1-ylpropanoic acid is CC(C)(C(=O)O)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-ylpropanoic acid?
The InChIKey is GJWWEBIRTIIEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,7(11)12)10-5-3-9-4-6-10/h9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-piperazin-1-ylpropanoic acid?
2-methyl-2-piperazin-1-ylpropanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-ylpropanoic acid is sourced from PubChem (CID 54857389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).