2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

C12H13F3N2O3 — CID 91644992

IUPAC2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-6(11(19)20)5-16-10(18)8-3-4-9(12(13,14)15)17-7(8)2/h3-4,6H,5H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyMVQNWKWMGZIGHP-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 91644992) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID91644992
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-6(11(19)20)5-16-10(18)8-3-4-9(12(13,14)15)17-7(8)2/h3-4,6H,5H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyMVQNWKWMGZIGHP-UHFFFAOYSA-N
XLogP1.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic 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

N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 2795899
[2-Methyl-6-(trifluoromethyl)pyridin-3-yl](piperidino)methanone
CID 2796058
6-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-2-methylpyridine-3-carboxamide
CID 72714075
2-methyl-N-(2-methylpropyl)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 49792382
2-methyl-N-(2-methylpropyl)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]azepane-2-carboxamide
CID 49795685
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2796125
2-methyl-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 9969955
N-methyl-6-(trifluoromethyl)nicotinamide
CID 30772990
N-tert-butyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53384835
6-[2-(3-fluorophenyl)ethynyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 70789084
N-Cyclohexyl-6-(trifluoromethyl)-3-pyridinecarboxamide
CID 33162899
6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 10104445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (CID 91644992) is 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is Cc1nc(C(F)(F)F)ccc1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is MVQNWKWMGZIGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-6(11(19)20)5-16-10(18)8-3-4-9(12(13,14)15)17-7(8)2/h3-4,6H,5H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 290.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 91644992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).