2-(trifluoromethylsulfonylamino)propanoic acid

C4H6F3NO4S — CID 43361292

IUPAC2-(trifluoromethylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C4H6F3NO4S/c1-2(3(9)10)8-13(11,12)4(5,6)7/h2,8H,1H3,(H,9,10)
InChIKeyLDBKIOZMTRPQNB-UHFFFAOYSA-N
MW221.16 g/mol
LogP-0.10
Rot. Bonds3

About 2-(trifluoromethylsulfonylamino)propanoic acid

2-(trifluoromethylsulfonylamino)propanoic acid (PubChem CID 43361292) has the molecular formula C4H6F3NO4S and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)propanoic acid
PubChem CID43361292
Molecular FormulaC4H6F3NO4S
Molecular Weight221.16 g/mol
Exact Mass221.00
IUPAC Name2-(trifluoromethylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C4H6F3NO4S/c1-2(3(9)10)8-13(11,12)4(5,6)7/h2,8H,1H3,(H,9,10)
InChIKeyLDBKIOZMTRPQNB-UHFFFAOYSA-N
XLogP-0.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methanesulfonamidopropanoic acid
CID 13443844
3-(Trifluoromethanesulfonamido)propanoic acid
CID 15673148
N-(Methylsulfonyl)-L-alanine
CID 7446978
2-(Perfluorobutylsulfonamido)propanoic Acid
CID 10642942
2-[[1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylamino]propanoic acid
CID 11466075
2-Methyl-N-[(trifluoromethyl)sulfonyl]alanine
CID 23236625
3-Methyl-2-(trifluoromethylsulfonylamino)butanoic acid
CID 22359370
((Trifluoromethyl)sulfonyl)-L-valine
CID 54356532
(2S)-2-(trifluoromethanesulfonamido)propanoic acid
CID 61131271
(2S)-2-(trifluoromethylsulfonylamino)butanoic acid
CID 81671204
(2R)-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
CID 83068615
2,2,2-Trifluoroacetic acid;2-(trifluoromethylsulfonylamino)butanoic acid
CID 87783254

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylamino)propanoic acid?
The IUPAC name of 2-(trifluoromethylsulfonylamino)propanoic acid (CID 43361292) is 2-(trifluoromethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)propanoic acid is CC(NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)propanoic acid?
The InChIKey is LDBKIOZMTRPQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO4S/c1-2(3(9)10)8-13(11,12)4(5,6)7/h2,8H,1H3,(H,9,10).
What are the key properties of 2-(trifluoromethylsulfonylamino)propanoic acid?
2-(trifluoromethylsulfonylamino)propanoic acid has a molecular weight of 221.16 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylamino)propanoic acid is sourced from PubChem (CID 43361292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).