2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid

C7H10F3NO5S — CID 102657711

IUPAC2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO5S/c1-6(16-2-5(12)13)3-11(4-6)17(14,15)7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyBXFXLPJHDBBDGE-UHFFFAOYSA-N
MW277.22 g/mol
LogP0.01
Rot. Bonds4

About 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657711) has the molecular formula C7H10F3NO5S and a molecular weight of 277.22 g/mol. Its IUPAC name is 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657711
Molecular FormulaC7H10F3NO5S
Molecular Weight277.22 g/mol
Exact Mass277.02
IUPAC Name2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO5S/c1-6(16-2-5(12)13)3-11(4-6)17(14,15)7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyBXFXLPJHDBBDGE-UHFFFAOYSA-N
XLogP0.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657755
2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657723
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
CID 102657811
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[3-methyl-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657306
3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine
CID 123629088
2-[1-(3,5-dichlorophenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657796
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657845
2-[3-methyl-1-[4-(trifluoromethyl)phenyl]azetidin-3-yl]oxyacetic acid
CID 102657954
2-[1-(2,5-dimethylphenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657783
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658788
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid (CID 102657711) is 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is BXFXLPJHDBBDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO5S/c1-6(16-2-5(12)13)3-11(4-6)17(14,15)7(8,9)10/h2-4H2,1H3,(H,12,13).
What are the key properties of 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 277.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).