2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid

C8H14F3NO2 — CID 63065927

IUPAC2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(2)3-12(4-7(13)14)5-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyFMNWSGADBILGPK-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.59
Rot. Bonds5

About 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 63065927) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID63065927
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(2)3-12(4-7(13)14)5-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyFMNWSGADBILGPK-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-methylpropyl(2,2,2-trifluoroethyl)amino]acetic 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

2-(Diisobutylamino)acetic acid
CID 239817
2-[Methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 43350784
Carboxymethyl-dimethyl-(trifluoromethyl)azanium
CID 57051462
Carboxymethyl-dimethyl-(2,2,2-trifluoroethyl)azanium
CID 57731230
2-[Tert-butyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79269471
Diethylamino-acetic acid trifluoroacetate
CID 86640294
2-[Carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 87845497
2-[2-Methylpropyl-[2-oxo-2-(2,2,2-trifluoroacetyl)oxyethyl]amino]acetic acid
CID 87845500
(2S)-2-[methyl(1,1,1-trifluorobutan-2-yl)amino]propanoic acid
CID 134423882
2-[3-(Trifluoromethyl)azetidin-1-yl]acetic acid
CID 137480122
Dibutyl-(carboxymethyl)-(1,1-difluorobutyl)azanium bromide
CID 172743143
Dibutyl-(carboxymethyl)-(1,1-difluorobutyl)azanium
CID 172743144

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 63065927) is 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FMNWSGADBILGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(2)3-12(4-7(13)14)5-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 213.20 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 63065927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).