2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid

C8H15F2NO2 — CID 60923090

IUPAC2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-3-6(2)11(4-7(9)10)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRSDMKWVRQYUWBV-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.44
Rot. Bonds6

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

2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid (PubChem CID 60923090) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid
PubChem CID60923090
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC(F)F
InChIInChI=1S/C8H15F2NO2/c1-3-6(2)11(4-7(9)10)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRSDMKWVRQYUWBV-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diisopropylethylamine trifluoroacetate
CID 12593398
N-Isopropyl-N-methylglycine
CID 22015279
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
1-Carboxypropyl(trimethyl)azanium;2,2,2-trifluoroacetic acid
CID 87558203
1-Carboxypropyl(trimethyl)azanium;2,2,2-trifluoroacetate
CID 87558210
2-[Carboxymethyl(2-methylpropyl)amino]acetic acid;2,2,2-trifluoroacetic acid
CID 87845497
2-(3,3-Difluoroazetidin-1-yl)propanoic acid
CID 121215370
(2S)-2-[methyl-(1,1,1-trifluoro-4-hydroxybutan-2-yl)amino]propanoic acid
CID 134423704

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid (CID 60923090) is 2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid is CCC(C)N(CC(=O)O)CC(F)F.
What is the InChIKey of 2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid?
The InChIKey is RSDMKWVRQYUWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-3-6(2)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-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid?
2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid has a molecular weight of 195.21 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2,2-difluoroethyl)amino]acetic acid is sourced from PubChem (CID 60923090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).