2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid

C8H14O8S — CID 154088250

IUPAC2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid
SMILESCC(C)(OS(=O)(=O)OC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C8H14O8S/c1-7(2,5(9)10)15-17(13,14)16-8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12)
InChIKeyZMAUHZAASXHVCO-UHFFFAOYSA-N
MW270.26 g/mol
LogP-0.01
Rot. Bonds6

About 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid

2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid (PubChem CID 154088250) has the molecular formula C8H14O8S and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid
PubChem CID154088250
Molecular FormulaC8H14O8S
Molecular Weight270.26 g/mol
Exact Mass270.04
IUPAC Name2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid
SMILESCC(C)(OS(=O)(=O)OC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C8H14O8S/c1-7(2,5(9)10)15-17(13,14)16-8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12)
InChIKeyZMAUHZAASXHVCO-UHFFFAOYSA-N
XLogP-0.01
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid?
The IUPAC name of 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid (CID 154088250) is 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid is CC(C)(OS(=O)(=O)OC(C)(C)C(=O)O)C(=O)O.
What is the InChIKey of 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid?
The InChIKey is ZMAUHZAASXHVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O8S/c1-7(2,5(9)10)15-17(13,14)16-8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12).
What are the key properties of 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid?
2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid has a molecular weight of 270.26 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxypropan-2-yloxysulfonyloxy)-2-methylpropanoic acid is sourced from PubChem (CID 154088250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).