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

C11H16N2O2 — CID 83883833

IUPAC3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid
SMILESCC(Cc1cccc(N(C)C)n1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-8(11(14)15)7-9-5-4-6-10(12-9)13(2)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyCFKKVJLKYOPPHJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.41
Rot. Bonds4

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

3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid (PubChem CID 83883833) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid
PubChem CID83883833
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid
SMILESCC(Cc1cccc(N(C)C)n1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-8(11(14)15)7-9-5-4-6-10(12-9)13(2)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyCFKKVJLKYOPPHJ-UHFFFAOYSA-N
XLogP1.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid
CID 84664754
3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243060
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 109399230
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
4-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]butanoic acid
CID 122007866
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
3-(7-bromoquinolin-2-yl)-2-methylpropanoic acid
CID 82251244
3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243062
N-[(1R)-1-[6-(dimethylamino)-2-pyridinyl]ethyl]propanamide
CID 175743939
N-(6-ethyl-2-pyridinyl)-N-methylacetamide
CID 138536705
3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
CID 82244797
3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82244963

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid?
The IUPAC name of 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid (CID 83883833) is 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid is CC(Cc1cccc(N(C)C)n1)C(=O)O.
What is the InChIKey of 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid?
The InChIKey is CFKKVJLKYOPPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(11(14)15)7-9-5-4-6-10(12-9)13(2)3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid?
3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid is sourced from PubChem (CID 83883833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).