3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid

C11H16N2O2 — CID 83834120

IUPAC3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
SMILESCc1ccc(C(CC(=O)O)N(C)C)cn1
InChIInChI=1S/C11H16N2O2/c1-8-4-5-9(7-12-8)10(13(2)3)6-11(14)15/h4-5,7,10H,6H2,1-3H3,(H,14,15)
InChIKeyHHZNXINRUSRRPP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.47
Rot. Bonds4

About 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid

3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid (PubChem CID 83834120) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
PubChem CID83834120
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
SMILESCc1ccc(C(CC(=O)O)N(C)C)cn1
InChIInChI=1S/C11H16N2O2/c1-8-4-5-9(7-12-8)10(13(2)3)6-11(14)15/h4-5,7,10H,6H2,1-3H3,(H,14,15)
InChIKeyHHZNXINRUSRRPP-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
CID 143571463
3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
CID 82125760
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
3-[(6-methyl-3-pyridinyl)amino]butanoic acid
CID 170628757
3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
CID 104823824
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 114938682
methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate
CID 104823955
methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
CID 104823947
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid (CID 83834120) is 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid is Cc1ccc(C(CC(=O)O)N(C)C)cn1.
What is the InChIKey of 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid?
The InChIKey is HHZNXINRUSRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-4-5-9(7-12-8)10(13(2)3)6-11(14)15/h4-5,7,10H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid?
3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 83834120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).