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

C11H11F3N2O3 — CID 62676946

IUPAC2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(CNC(=O)c1ccc(C(F)(F)F)nc1)C(=O)O
InChIInChI=1S/C11H11F3N2O3/c1-6(10(18)19)4-16-9(17)7-2-3-8(15-5-7)11(12,13)14/h2-3,5-6H,4H2,1H3,(H,16,17)(H,18,19)
InChIKeyACVRVMOQVPHJRC-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.55
Rot. Bonds4

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

2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 62676946) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID62676946
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(CNC(=O)c1ccc(C(F)(F)F)nc1)C(=O)O
InChIInChI=1S/C11H11F3N2O3/c1-6(10(18)19)4-16-9(17)7-2-3-8(15-5-7)11(12,13)14/h2-3,5-6H,4H2,1H3,(H,16,17)(H,18,19)
InChIKeyACVRVMOQVPHJRC-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid (CID 62676946) is 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is CC(CNC(=O)c1ccc(C(F)(F)F)nc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is ACVRVMOQVPHJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-6(10(18)19)4-16-9(17)7-2-3-8(15-5-7)11(12,13)14/h2-3,5-6H,4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid?
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 276.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 62676946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).