(2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid

C5H10FNO4S — CID 156632346

IUPAC(2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)F)C(=O)O
InChIInChI=1S/C5H10FNO4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyKTURCBCNBSHVEQ-BYPYZUCNSA-N
MW199.20 g/mol
LogP-0.10
Rot. Bonds4

About (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid

(2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid (PubChem CID 156632346) has the molecular formula C5H10FNO4S and a molecular weight of 199.20 g/mol. Its IUPAC name is (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid
PubChem CID156632346
Molecular FormulaC5H10FNO4S
Molecular Weight199.20 g/mol
Exact Mass199.03
IUPAC Name(2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NS(=O)(=O)F)C(=O)O
InChIInChI=1S/C5H10FNO4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyKTURCBCNBSHVEQ-BYPYZUCNSA-N
XLogP-0.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid (CID 156632346) is (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid is CC(C)[C@H](NS(=O)(=O)F)C(=O)O.
What is the InChIKey of (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid?
The InChIKey is KTURCBCNBSHVEQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10FNO4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid?
(2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid has a molecular weight of 199.20 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 (2S)-2-(fluorosulfonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 156632346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).