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

C8H14F3NO2 — CID 60891954

IUPAC3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCC(C)C(C(=O)O)N(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)6(7(13)14)12(3)4-8(9,10)11/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyILMZPHLVBOPJSY-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.59
Rot. Bonds4

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

3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid (PubChem CID 60891954) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
PubChem CID60891954
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCC(C)C(C(=O)O)N(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)6(7(13)14)12(3)4-8(9,10)11/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyILMZPHLVBOPJSY-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

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Related Compounds

N,N-Dimethyl-L-Valine
CID 11008044
(2R)-2-(dimethylamino)-3-methylbutanoic acid
CID 40493914
2-(Dimethylamino)-3-methylbutanoic acid
CID 14584527
2-[Carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid
CID 23326141
(1-Carboxy-2-methylpropyl)-trimethylazanium
CID 18628338
(2S)-2-[bis(2-fluoroethyl)amino]-3-methylbutanoic acid
CID 54143768
(2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid
CID 54348715
3,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 61325174
2-(3,3-Difluoropyrrolidin-1-yl)butanoic acid
CID 67321754
2-[Bis(2-fluoroethyl)amino]-3-methylbutanoic acid
CID 76106701
1-Carboxypropyl(trimethyl)azanium;2,2,2-trifluoroacetic acid
CID 87558203
1-Carboxypropyl(trimethyl)azanium;2,2,2-trifluoroacetate
CID 87558210

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid (CID 60891954) is 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid is CC(C)C(C(=O)O)N(C)CC(F)(F)F.
What is the InChIKey of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The InChIKey is ILMZPHLVBOPJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(2)6(7(13)14)12(3)4-8(9,10)11/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid?
3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic 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 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid is sourced from PubChem (CID 60891954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).