3-(dimethylamino)-3-pyridin-4-ylpropanoic acid

C10H14N2O2 — CID 82125760

IUPAC3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
SMILESCN(C)C(CC(=O)O)c1ccncc1
InChIInChI=1S/C10H14N2O2/c1-12(2)9(7-10(13)14)8-3-5-11-6-4-8/h3-6,9H,7H2,1-2H3,(H,13,14)
InChIKeyKJANIXUCHJRPLK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.16
Rot. Bonds4

About 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid

3-(dimethylamino)-3-pyridin-4-ylpropanoic acid (PubChem CID 82125760) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
PubChem CID82125760
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
SMILESCN(C)C(CC(=O)O)c1ccncc1
InChIInChI=1S/C10H14N2O2/c1-12(2)9(7-10(13)14)8-3-5-11-6-4-8/h3-6,9H,7H2,1-2H3,(H,13,14)
InChIKeyKJANIXUCHJRPLK-UHFFFAOYSA-N
XLogP1.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83834120
(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
CID 66718288
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-methyl-N-(1-pyridin-4-ylpropyl)acetamide
CID 170313482
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258978
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
3-(dimethylamino)-3-pyridin-4-ylpropanenitrile
CID 116909988
3-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 64528353
3-(cyclopropylamino)-3-pyridin-4-ylpropanoic acid
CID 83820030
4-[dimethylamino(pyridin-4-yl)methyl]benzoic acid
CID 116908451
(3R)-3-cyano-3-pyridin-4-ylpropanoic acid
CID 94827088

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid (CID 82125760) is 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid is CN(C)C(CC(=O)O)c1ccncc1.
What is the InChIKey of 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid?
The InChIKey is KJANIXUCHJRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(2)9(7-10(13)14)8-3-5-11-6-4-8/h3-6,9H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid?
3-(dimethylamino)-3-pyridin-4-ylpropanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 82125760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).