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

C8H15F2NO2 — CID 63066292

IUPAC2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-6(2)3-11(4-7(9)10)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyQSDJYNGWUYMMRL-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.29
Rot. Bonds6

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

2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid (PubChem CID 63066292) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid
PubChem CID63066292
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-6(2)3-11(4-7(9)10)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyQSDJYNGWUYMMRL-UHFFFAOYSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid (CID 63066292) is 2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid?
The InChIKey is QSDJYNGWUYMMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-6(2)3-11(4-7(9)10)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid?
2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid has a molecular weight of 195.21 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).