2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid

C7H11F3N2O6S — CID 138689974

IUPAC2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CS(=O)(=O)NC1CNC1
InChIInChI=1S/C5H10N2O4S.C2HF3O2/c8-5(9)3-12(10,11)7-4-1-6-2-4;3-2(4,5)1(6)7/h4,6-7H,1-3H2,(H,8,9);(H,6,7)
InChIKeyUCGNJYFXBXPNQY-UHFFFAOYSA-N
MW308.23 g/mol
LogP-1.40
Rot. Bonds4

About 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid

2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 138689974) has the molecular formula C7H11F3N2O6S and a molecular weight of 308.23 g/mol. Its IUPAC name is 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID138689974
Molecular FormulaC7H11F3N2O6S
Molecular Weight308.23 g/mol
Exact Mass308.03
IUPAC Name2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CS(=O)(=O)NC1CNC1
InChIInChI=1S/C5H10N2O4S.C2HF3O2/c8-5(9)3-12(10,11)7-4-1-6-2-4;3-2(4,5)1(6)7/h4,6-7H,1-3H2,(H,8,9);(H,6,7)
InChIKeyUCGNJYFXBXPNQY-UHFFFAOYSA-N
XLogP-1.40
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid (CID 138689974) is 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CS(=O)(=O)NC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is UCGNJYFXBXPNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4S.C2HF3O2/c8-5(9)3-12(10,11)7-4-1-6-2-4;3-2(4,5)1(6)7/h4,6-7H,1-3H2,(H,8,9);(H,6,7).
What are the key properties of 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid?
2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 308.23 g/mol, XLogP of -1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylsulfamoyl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138689974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).