2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid

C8H13F3N2O4S — CID 114807128

IUPAC2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O4S/c1-5(7(14)15)6-2-13(3-6)18(16,17)12-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,14,15)
InChIKeySDCGGXSXKIDWMA-UHFFFAOYSA-N
MW290.26 g/mol
LogP0.04
Rot. Bonds5

About 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid

2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid (PubChem CID 114807128) has the molecular formula C8H13F3N2O4S and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
PubChem CID114807128
Molecular FormulaC8H13F3N2O4S
Molecular Weight290.26 g/mol
Exact Mass290.05
IUPAC Name2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O4S/c1-5(7(14)15)6-2-13(3-6)18(16,17)12-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,14,15)
InChIKeySDCGGXSXKIDWMA-UHFFFAOYSA-N
XLogP0.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Azetidin-3-yl)propanoic acid; trifluoroacetic acid
CID 75478612
4-Methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 113636803
(3S,4S)-4-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114085518
4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805418
2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806332
2-[1-(Trifluoromethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681731
2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681780
2-(Azetidin-3-yl)-2-methylpropanoic acid; trifluoroacetic acid
CID 135392488
2-[1-(Methoxycarbonylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114463064
2-[1-(Propylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806330
2-[1-(Methylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806331
2-[1-(Propan-2-ylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806334

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid (CID 114807128) is 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is SDCGGXSXKIDWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O4S/c1-5(7(14)15)6-2-13(3-6)18(16,17)12-4-8(9,10)11/h5-6,12H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid?
2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 290.26 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 114807128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).