3-(trifluoromethylsulfonylamino)propanoic acid

C4H6F3NO4S — CID 15673148

IUPAC3-(trifluoromethylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO4S/c5-4(6,7)13(11,12)8-2-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyVVKOBHARLVYDML-UHFFFAOYSA-N
MW221.16 g/mol
LogP-0.10
Rot. Bonds4

About 3-(trifluoromethylsulfonylamino)propanoic acid

3-(trifluoromethylsulfonylamino)propanoic acid (PubChem CID 15673148) has the molecular formula C4H6F3NO4S and a molecular weight of 221.16 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylamino)propanoic acid
PubChem CID15673148
Molecular FormulaC4H6F3NO4S
Molecular Weight221.16 g/mol
Exact Mass221.00
IUPAC Name3-(trifluoromethylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO4S/c5-4(6,7)13(11,12)8-2-1-3(9)10/h8H,1-2H2,(H,9,10)
InChIKeyVVKOBHARLVYDML-UHFFFAOYSA-N
XLogP-0.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(Trifluoromethylsulfonylamino)propanoic acid
CID 43361292
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfonylamino)propanoic acid
CID 57011944
(2S)-2-(trifluoromethanesulfonamido)propanoic acid
CID 61131271
2,2-Dimethyl-3-(trifluoromethylsulfonylamino)propanoic acid
CID 87537734
(2S)-2-amino-3-(trifluoromethylsulfonylamino)propanoic acid
CID 88300767
2-Amino-3-(trifluoromethylsulfonylamino)propanoic acid
CID 88354236
3-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonylamino)propanoic acid
CID 129294837
3-(Trifluoromethylsulfanylamino)propanoic acid
CID 129294840
3-(1,1,2,2,2-Pentafluoroethylsulfonylamino)propanoic acid
CID 129294842
3-(1,1,2,2,3,3,3-Heptafluoropropylsulfonylamino)propanoic acid
CID 129294848
3-(1,1,2,2,3-Pentafluoropropylsulfonylamino)propanoic acid
CID 130374949
3-(1,1,2,2,3-Pentafluoropropylsulfonylamino)propanoate
CID 141668259

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylamino)propanoic acid?
The IUPAC name of 3-(trifluoromethylsulfonylamino)propanoic acid (CID 15673148) is 3-(trifluoromethylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(trifluoromethylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(trifluoromethylsulfonylamino)propanoic acid is O=C(O)CCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylamino)propanoic acid?
The InChIKey is VVKOBHARLVYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO4S/c5-4(6,7)13(11,12)8-2-1-3(9)10/h8H,1-2H2,(H,9,10).
What are the key properties of 3-(trifluoromethylsulfonylamino)propanoic acid?
3-(trifluoromethylsulfonylamino)propanoic acid has a molecular weight of 221.16 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylamino)propanoic acid is sourced from PubChem (CID 15673148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).