3-(fluorosulfonylamino)butanoic acid

C4H8FNO4S — CID 130266429

IUPAC3-(fluorosulfonylamino)butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)F
InChIInChI=1S/C4H8FNO4S/c1-3(2-4(7)8)6-11(5,9)10/h3,6H,2H2,1H3,(H,7,8)
InChIKeyHKXSKALGTPFMQH-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.35
Rot. Bonds4

About 3-(fluorosulfonylamino)butanoic acid

3-(fluorosulfonylamino)butanoic acid (PubChem CID 130266429) has the molecular formula C4H8FNO4S and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-(fluorosulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-(fluorosulfonylamino)butanoic acid
PubChem CID130266429
Molecular FormulaC4H8FNO4S
Molecular Weight185.18 g/mol
Exact Mass185.02
IUPAC Name3-(fluorosulfonylamino)butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)F
InChIInChI=1S/C4H8FNO4S/c1-3(2-4(7)8)6-11(5,9)10/h3,6H,2H2,1H3,(H,7,8)
InChIKeyHKXSKALGTPFMQH-UHFFFAOYSA-N
XLogP-0.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluorosulfonylamino)butanoic acid?
The IUPAC name of 3-(fluorosulfonylamino)butanoic acid (CID 130266429) is 3-(fluorosulfonylamino)butanoic acid.
What is the SMILES notation for 3-(fluorosulfonylamino)butanoic acid?
The canonical SMILES for 3-(fluorosulfonylamino)butanoic acid is CC(CC(=O)O)NS(=O)(=O)F.
What is the InChIKey of 3-(fluorosulfonylamino)butanoic acid?
The InChIKey is HKXSKALGTPFMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO4S/c1-3(2-4(7)8)6-11(5,9)10/h3,6H,2H2,1H3,(H,7,8).
What are the key properties of 3-(fluorosulfonylamino)butanoic acid?
3-(fluorosulfonylamino)butanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluorosulfonylamino)butanoic acid is sourced from PubChem (CID 130266429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).