2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid

C11H16N2O2 — CID 130509890

IUPAC2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid
SMILESCN(C)c1ccc(C(C)(C)C(=O)O)cn1
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)15)8-5-6-9(12-7-8)13(3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyJGDRVOHZKQSLLP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.51
Rot. Bonds3

About 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid

2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid (PubChem CID 130509890) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid
PubChem CID130509890
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid
SMILESCN(C)c1ccc(C(C)(C)C(=O)O)cn1
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)15)8-5-6-9(12-7-8)13(3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyJGDRVOHZKQSLLP-UHFFFAOYSA-N
XLogP1.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid?
The IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid (CID 130509890) is 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid is CN(C)c1ccc(C(C)(C)C(=O)O)cn1.
What is the InChIKey of 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid?
The InChIKey is JGDRVOHZKQSLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,10(14)15)8-5-6-9(12-7-8)13(3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid?
2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-3-pyridinyl]-2-methylpropanoic acid is sourced from PubChem (CID 130509890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).