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

C5H8F3NO2 — CID 43350784

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2-4(10)11)3-5(6,7)8/h2-3H2,1H3,(H,10,11)
InChIKeyPXGXSZBCPMWVGJ-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.57
Rot. Bonds3

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

2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 43350784) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID43350784
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-9(2-4(10)11)3-5(6,7)8/h2-3H2,1H3,(H,10,11)
InChIKeyPXGXSZBCPMWVGJ-UHFFFAOYSA-N
XLogP0.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 43350784) is 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid is CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PXGXSZBCPMWVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-9(2-4(10)11)3-5(6,7)8/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 171.12 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 43350784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).