2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C7H11F3N2O6S — CID 114462845

IUPAC2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H11F3N2O6S/c1-2-18-6(15)11-19(16,17)12(3-5(13)14)4-7(8,9)10/h2-4H2,1H3,(H,11,15)(H,13,14)
InChIKeyIDXGYYWYOVZZOO-UHFFFAOYSA-N
MW308.23 g/mol
LogP-0.07
Rot. Bonds6

About 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114462845) has the molecular formula C7H11F3N2O6S and a molecular weight of 308.23 g/mol. Its IUPAC name is 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114462845
Molecular FormulaC7H11F3N2O6S
Molecular Weight308.23 g/mol
Exact Mass308.03
IUPAC Name2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOC(=O)NS(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H11F3N2O6S/c1-2-18-6(15)11-19(16,17)12(3-5(13)14)4-7(8,9)10/h2-4H2,1H3,(H,11,15)(H,13,14)
InChIKeyIDXGYYWYOVZZOO-UHFFFAOYSA-N
XLogP-0.07
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 114462845) is 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CCOC(=O)NS(=O)(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IDXGYYWYOVZZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O6S/c1-2-18-6(15)11-19(16,17)12(3-5(13)14)4-7(8,9)10/h2-4H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 308.23 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxycarbonylsulfamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114462845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).