2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid

C11H16N2O2 — CID 79628858

IUPAC2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid
SMILESCC(C)(CNCc1ccncc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)15)8-13-7-9-3-5-12-6-4-9/h3-6,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyRUBFSBWKZKHOSU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.28
Rot. Bonds5

About 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid

2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid (PubChem CID 79628858) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid
PubChem CID79628858
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid
SMILESCC(C)(CNCc1ccncc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)15)8-13-7-9-3-5-12-6-4-9/h3-6,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyRUBFSBWKZKHOSU-UHFFFAOYSA-N
XLogP1.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 104643853
2,2-dimethyl-3-[(4-propylphenyl)methylamino]propanoic acid
CID 115136546
3-[(4-ethoxyphenyl)methylamino]-2,2-dimethylpropanoic acid
CID 115136553
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylcarbamoylamino)propanoic acid
CID 66172431
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089
2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
CID 103236241
4-chloro-2,2-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 106140076
5-(pyridin-4-ylmethylamino)benzene-1,3-dicarboxylic acid
CID 101486213
3-[(3-cyanophenyl)methylamino]-2,2-dimethylpropanoic acid
CID 79623839
2,2-dimethyl-3-[[phenyl(pyridin-4-yl)methyl]amino]propanoic acid
CID 79621337
2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
CID 79623973
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid (CID 79628858) is 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid is CC(C)(CNCc1ccncc1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid?
The InChIKey is RUBFSBWKZKHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,10(14)15)8-13-7-9-3-5-12-6-4-9/h3-6,13H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid?
2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid is sourced from PubChem (CID 79628858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).