2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid

C11H22N2O2 — CID 20985975

IUPAC2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
SMILESCN1CCC(N(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15)13(4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyWMKOHLPCSUXQNP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds3

About 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid

2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid (PubChem CID 20985975) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
PubChem CID20985975
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
SMILESCN1CCC(N(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15)13(4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyWMKOHLPCSUXQNP-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid (CID 20985975) is 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid is CN1CCC(N(C)C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid?
The InChIKey is WMKOHLPCSUXQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,10(14)15)13(4)9-5-7-12(3)8-6-9/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid?
2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 20985975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).