3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid

C11H13F3N2O2 — CID 64699610

IUPAC3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESCC(C)(CC(=O)O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c1-10(2,6-9(17)18)16-8-5-3-4-7(15-8)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBVSYEGNZLIRUEI-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.77
Rot. Bonds4

About 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid

3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (PubChem CID 64699610) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
PubChem CID64699610
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESCC(C)(CC(=O)O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c1-10(2,6-9(17)18)16-8-5-3-4-7(15-8)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBVSYEGNZLIRUEI-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The IUPAC name of 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (CID 64699610) is 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is CC(C)(CC(=O)O)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The InChIKey is BVSYEGNZLIRUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-10(2,6-9(17)18)16-8-5-3-4-7(15-8)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid has a molecular weight of 262.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is sourced from PubChem (CID 64699610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).