2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

C7H12F3NO2 — CID 61343842

IUPAC2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C7H12F3NO2/c1-6(2,5(12)13)11(3)4-7(8,9)10/h4H2,1-3H3,(H,12,13)
InChIKeyWUCWUMXHZXMFRI-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 61343842) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID61343842
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C7H12F3NO2/c1-6(2,5(12)13)11(3)4-7(8,9)10/h4H2,1-3H3,(H,12,13)
InChIKeyWUCWUMXHZXMFRI-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 61343842) is 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is CN(CC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is WUCWUMXHZXMFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,5(12)13)11(3)4-7(8,9)10/h4H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 199.17 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 61343842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).