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

Isbogrel
CID 5284442
3-(Pyridin-4-yl)propanoic acid
CID 233243
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
3-Pyridinebutanoic acid
CID 114
3-(3-Pyridyl)alanine
CID 152953
3-(Pyridin-2-yl)propanoic acid
CID 564292
2-Pyridineacetic acid
CID 85318
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 6537201
(S)-3-(6-Methyl-pyridin-3-yl)-3-{[(R)-1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10598742
Sulcatin
CID 10329907

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).