2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid

C7H10F3NO4S — CID 43361630

IUPAC2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)C(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C7H10F3NO4S/c1-6(5(12)13,4-2-3-4)11-16(14,15)7(8,9)10/h4,11H,2-3H2,1H3,(H,12,13)
InChIKeyDHBDGFALUCVCJJ-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.68
Rot. Bonds4

About 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid

2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid (PubChem CID 43361630) has the molecular formula C7H10F3NO4S and a molecular weight of 261.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid
PubChem CID43361630
Molecular FormulaC7H10F3NO4S
Molecular Weight261.22 g/mol
Exact Mass261.03
IUPAC Name2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)C(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C7H10F3NO4S/c1-6(5(12)13,4-2-3-4)11-16(14,15)7(8,9)10/h4,11H,2-3H2,1H3,(H,12,13)
InChIKeyDHBDGFALUCVCJJ-UHFFFAOYSA-N
XLogP0.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid (CID 43361630) is 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid is CC(NS(=O)(=O)C(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid?
The InChIKey is DHBDGFALUCVCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4S/c1-6(5(12)13,4-2-3-4)11-16(14,15)7(8,9)10/h4,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid?
2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid has a molecular weight of 261.22 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(trifluoromethylsulfonylamino)propanoic acid is sourced from PubChem (CID 43361630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).