2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

C7H12F3NO2 — CID 60891764

IUPAC2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(CN(C)CC(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO2/c1-5(6(12)13)3-11(2)4-7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyMRSVIROROKMYPM-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.20
Rot. Bonds4

About 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid

2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 60891764) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID60891764
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(CN(C)CC(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO2/c1-5(6(12)13)3-11(2)4-7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyMRSVIROROKMYPM-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Bis(2-methylpropyl)amino]propanoic acid
CID 2057165
N,N-Diethyl-beta-alanine
CID 247454
3-(Dimethylamino)-2-methylpropanoic acid hydrochloride
CID 44118489
1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
3-(Diethylamino)-2-fluoropropanoic acid hydrochloride
CID 71755875
3-[Bis(trifluoromethyl)amino] propionic acid
CID 57920862
3-(N-Formyl-N-methylamino)-2-(trifluoromethyl)propanoic acid
CID 16217701
3-(Dimethylamino)-2,2-difluoropropanoic acid hydrochloride
CID 155821089
3-(Diethylamino)-2-methylpropanoic acid
CID 43538708
2-[(Diethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 13637580
3-(Dimethylamino)-2-methylpropanoic acid
CID 14073324
3-[Ethyl(methyl)amino]propanoic acid
CID 17910357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 60891764) is 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is CC(CN(C)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is MRSVIROROKMYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(6(12)13)3-11(2)4-7(8,9)10/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 199.17 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 60891764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).