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

C8H14F3NO2 — CID 62271765

IUPAC2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CC(F)(F)F)CC(C)(C)C(=O)O
InChIInChI=1S/C8H14F3NO2/c1-7(2,6(13)14)4-12(3)5-8(9,10)11/h4-5H2,1-3H3,(H,13,14)
InChIKeyAZHSPIZHKGYWTD-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.59
Rot. Bonds4

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

2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 62271765) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID62271765
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCN(CC(F)(F)F)CC(C)(C)C(=O)O
InChIInChI=1S/C8H14F3NO2/c1-7(2,6(13)14)4-12(3)5-8(9,10)11/h4-5H2,1-3H3,(H,13,14)
InChIKeyAZHSPIZHKGYWTD-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Diethylamino)-2-fluoropropanoic acid hydrochloride
CID 71755875
3-(Dimethylamino)-2,2-dimethylpropanoic acid
CID 285609
3-(Dimethylamino)-2,2-difluoropropanoic acid hydrochloride
CID 155821089
2-[(Diethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 13637580
3-[Methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60892343
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)azetidine-3-carboxylic acid
CID 67321115
2-[(Dimethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 80996003
3-(Dimethylamino)-2-fluoropropanoic acid
CID 84648240
3-(Dimethylamino)-2,2-difluoropropanoic acid
CID 84649708
3-(4,4-Difluoropiperidin-1-yl)-2,2-dimethylpropionic acid
CID 116991215
1-(2,2-Difluoroethyl)-3-methylazetidine-3-carboxylic acid
CID 130988427
2-[Difluoro-[2,2,2-trifluoroethyl(trifluoromethyl)amino]methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 137503201

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 62271765) is 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is CN(CC(F)(F)F)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is AZHSPIZHKGYWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(2,6(13)14)4-12(3)5-8(9,10)11/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 213.20 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 62271765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).