3-[fluorosulfonyl(methyl)amino]propanoic acid

C4H8FNO4S — CID 130266575

IUPAC3-[fluorosulfonyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)F
InChIInChI=1S/C4H8FNO4S/c1-6(11(5,9)10)3-2-4(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyLFWNNUVRSZOBER-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.39
Rot. Bonds4

About 3-[fluorosulfonyl(methyl)amino]propanoic acid

3-[fluorosulfonyl(methyl)amino]propanoic acid (PubChem CID 130266575) has the molecular formula C4H8FNO4S and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-[fluorosulfonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[fluorosulfonyl(methyl)amino]propanoic acid
PubChem CID130266575
Molecular FormulaC4H8FNO4S
Molecular Weight185.18 g/mol
Exact Mass185.02
IUPAC Name3-[fluorosulfonyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)F
InChIInChI=1S/C4H8FNO4S/c1-6(11(5,9)10)3-2-4(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyLFWNNUVRSZOBER-UHFFFAOYSA-N
XLogP-0.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[fluorosulfonyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[fluorosulfonyl(methyl)amino]propanoic acid (CID 130266575) is 3-[fluorosulfonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[fluorosulfonyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[fluorosulfonyl(methyl)amino]propanoic acid is CN(CCC(=O)O)S(=O)(=O)F.
What is the InChIKey of 3-[fluorosulfonyl(methyl)amino]propanoic acid?
The InChIKey is LFWNNUVRSZOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO4S/c1-6(11(5,9)10)3-2-4(7)8/h2-3H2,1H3,(H,7,8).
What are the key properties of 3-[fluorosulfonyl(methyl)amino]propanoic acid?
3-[fluorosulfonyl(methyl)amino]propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluorosulfonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 130266575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).