2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

C12H13F3N2O3 — CID 120527844

IUPAC2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(C)(CNC(=O)c1cccnc1C(F)(F)F)C(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-11(2,10(19)20)6-17-9(18)7-4-3-5-16-8(7)12(13,14)15/h3-5H,6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKZZIHDLBVHAIIM-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.94
Rot. Bonds4

About 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid

2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 120527844) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID120527844
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(C)(CNC(=O)c1cccnc1C(F)(F)F)C(=O)O
InChIInChI=1S/C12H13F3N2O3/c1-11(2,10(19)20)6-17-9(18)7-4-3-5-16-8(7)12(13,14)15/h3-5H,6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyKZZIHDLBVHAIIM-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-3-hydroxy-2-methylbutyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 102562564
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 146083234
4-methyl-2-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid
CID 120528438
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
2,2-dimethyl-3-[(2-methyl-3-pyridin-2-ylbenzoyl)amino]propanoic acid
CID 120527980
2-methyl-3-[methyl-[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120524125
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
tert-butyl 3-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate
CID 171785762
N-[2,2-difluoro-2-[4-pyrimidin-5-yl-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 126578757
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (CID 120527844) is 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is CC(C)(CNC(=O)c1cccnc1C(F)(F)F)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is KZZIHDLBVHAIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-11(2,10(19)20)6-17-9(18)7-4-3-5-16-8(7)12(13,14)15/h3-5H,6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 290.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120527844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).