2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid

C7H11F2NO4S — CID 43163308

IUPAC2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)C(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C7H11F2NO4S/c1-7(5(11)12,4-2-3-4)10-15(13,14)6(8)9/h4,6,10H,2-3H2,1H3,(H,11,12)
InChIKeyNXRTXPSCECMVDJ-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.38
Rot. Bonds5

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

2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid (PubChem CID 43163308) has the molecular formula C7H11F2NO4S and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid
PubChem CID43163308
Molecular FormulaC7H11F2NO4S
Molecular Weight243.23 g/mol
Exact Mass243.04
IUPAC Name2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)C(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C7H11F2NO4S/c1-7(5(11)12,4-2-3-4)10-15(13,14)6(8)9/h4,6,10H,2-3H2,1H3,(H,11,12)
InChIKeyNXRTXPSCECMVDJ-UHFFFAOYSA-N
XLogP0.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid (CID 43163308) is 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid is CC(NS(=O)(=O)C(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid?
The InChIKey is NXRTXPSCECMVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4S/c1-7(5(11)12,4-2-3-4)10-15(13,14)6(8)9/h4,6,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid?
2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid has a molecular weight of 243.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid is sourced from PubChem (CID 43163308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).