2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid

C6H10F3N3O5S — CID 107435749

IUPAC2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O5S/c7-6(8,9)3-11-18(16,17)12(1-4(10)13)2-5(14)15/h11H,1-3H2,(H2,10,13)(H,14,15)
InChIKeyNWBPXUFFLZHEST-UHFFFAOYSA-N
MW293.22 g/mol
LogP-1.75
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid (PubChem CID 107435749) has the molecular formula C6H10F3N3O5S and a molecular weight of 293.22 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
PubChem CID107435749
Molecular FormulaC6H10F3N3O5S
Molecular Weight293.22 g/mol
Exact Mass293.03
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O5S/c7-6(8,9)3-11-18(16,17)12(1-4(10)13)2-5(14)15/h11H,1-3H2,(H2,10,13)(H,14,15)
InChIKeyNWBPXUFFLZHEST-UHFFFAOYSA-N
XLogP-1.75
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid (CID 107435749) is 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid?
The InChIKey is NWBPXUFFLZHEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O5S/c7-6(8,9)3-11-18(16,17)12(1-4(10)13)2-5(14)15/h11H,1-3H2,(H2,10,13)(H,14,15).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid has a molecular weight of 293.22 g/mol, XLogP of -1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 107435749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).