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

C7H11F3N2O4S — CID 114806332

IUPAC2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O4S/c8-7(9,10)4-11-17(15,16)12-2-5(3-12)1-6(13)14/h5,11H,1-4H2,(H,13,14)
InChIKeyNGIYWRSWBROFOT-UHFFFAOYSA-N
MW276.24 g/mol
LogP-0.21
Rot. Bonds5

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

2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114806332) has the molecular formula C7H11F3N2O4S and a molecular weight of 276.24 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114806332
Molecular FormulaC7H11F3N2O4S
Molecular Weight276.24 g/mol
Exact Mass276.04
IUPAC Name2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O4S/c8-7(9,10)4-11-17(15,16)12-2-5(3-12)1-6(13)14/h5,11H,1-4H2,(H,13,14)
InChIKeyNGIYWRSWBROFOT-UHFFFAOYSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Azetidin-3-yl)acetic acid; trifluoroacetic acid
CID 67112606
3-[2-(Sulfamoylamino)ethyl]azetidine;2,2,2-trifluoroacetic acid
CID 175727596
2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617430
2-[1-(Trifluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64618813
4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805418
1-(2,2,2-Trifluoroethylsulfamoyl)azetidine-3-carboxylic acid
CID 114806245
2-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806704
3-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114806731
2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807128
2-[1-(Dimethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64617435
2-[1-(Propylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806330
2-[1-(Methylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806331

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid (CID 114806332) is 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is NGIYWRSWBROFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O4S/c8-7(9,10)4-11-17(15,16)12-2-5(3-12)1-6(13)14/h5,11H,1-4H2,(H,13,14).
What are the key properties of 2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(2,2,2-trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 276.24 g/mol, XLogP of -0.21, 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]acetic acid is sourced from PubChem (CID 114806332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).