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

C11H11F3N2O3 — CID 119140189

IUPAC3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCC(=O)O
InChIInChI=1S/C11H11F3N2O3/c1-6-7(10(19)15-5-4-9(17)18)2-3-8(16-6)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyCRNXNJZVWVITTJ-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.61
Rot. Bonds4

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

3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 119140189) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID119140189
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NCCC(=O)O
InChIInChI=1S/C11H11F3N2O3/c1-6-7(10(19)15-5-4-9(17)18)2-3-8(16-6)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,19)(H,17,18)
InChIKeyCRNXNJZVWVITTJ-UHFFFAOYSA-N
XLogP1.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119494830
2-methyl-N-(3-propoxypropyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69437945
2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46981446
2-methyl-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119187886
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119218100
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120944494
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (CID 119140189) is 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is Cc1nc(C(F)(F)F)ccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is CRNXNJZVWVITTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-6-7(10(19)15-5-4-9(17)18)2-3-8(16-6)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 276.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119140189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).