3-(difluoromethylsulfonylamino)propanoic acid

C4H7F2NO4S — CID 28606616

IUPAC3-(difluoromethylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)C(F)F
InChIInChI=1S/C4H7F2NO4S/c5-4(6)12(10,11)7-2-1-3(8)9/h4,7H,1-2H2,(H,8,9)
InChIKeyMUFRFANLIYLVMN-UHFFFAOYSA-N
MW203.17 g/mol
LogP-0.40
Rot. Bonds5

About 3-(difluoromethylsulfonylamino)propanoic acid

3-(difluoromethylsulfonylamino)propanoic acid (PubChem CID 28606616) has the molecular formula C4H7F2NO4S and a molecular weight of 203.17 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)propanoic acid
PubChem CID28606616
Molecular FormulaC4H7F2NO4S
Molecular Weight203.17 g/mol
Exact Mass203.01
IUPAC Name3-(difluoromethylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)C(F)F
InChIInChI=1S/C4H7F2NO4S/c5-4(6)12(10,11)7-2-1-3(8)9/h4,7H,1-2H2,(H,8,9)
InChIKeyMUFRFANLIYLVMN-UHFFFAOYSA-N
XLogP-0.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
CID 65284819
N-(2-aminoethyl)-1,1-difluoromethanesulfonamide
CID 28606994
3-(chloromethylsulfonylamino)propanoic acid
CID 63664761
1,1-difluoro-N-(3-hydroxypentyl)methanesulfonamide
CID 115747194
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997
butanedioic acid;fluoroform
CID 159416748
3-(fluoroamino)propanoic acid
CID 22665129
3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
CID 54881721
ethyl 2-(difluoromethylsulfonylamino)acetate
CID 60816614
4-(chloromethylsulfonylamino)butanoic acid
CID 63664973
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
3-[tert-butyl(difluoromethylsulfonyl)amino]propanoic acid
CID 60829147

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)propanoic acid?
The IUPAC name of 3-(difluoromethylsulfonylamino)propanoic acid (CID 28606616) is 3-(difluoromethylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(difluoromethylsulfonylamino)propanoic acid is O=C(O)CCNS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonylamino)propanoic acid?
The InChIKey is MUFRFANLIYLVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO4S/c5-4(6)12(10,11)7-2-1-3(8)9/h4,7H,1-2H2,(H,8,9).
What are the key properties of 3-(difluoromethylsulfonylamino)propanoic acid?
3-(difluoromethylsulfonylamino)propanoic acid has a molecular weight of 203.17 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)propanoic acid is sourced from PubChem (CID 28606616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).