2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid

C12H14O5S — CID 117428997

IUPAC2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccccc1S(=O)(=O)C1CCC1
InChIInChI=1S/C12H14O5S/c13-11(12(14)15)9-6-1-2-7-10(9)18(16,17)8-4-3-5-8/h1-2,6-8,11,13H,3-5H2,(H,14,15)
InChIKeyRUVWMIJDTMVQSJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.13
Rot. Bonds4

About 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid

2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid (PubChem CID 117428997) has the molecular formula C12H14O5S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
PubChem CID117428997
Molecular FormulaC12H14O5S
Molecular Weight270.31 g/mol
Exact Mass270.06
IUPAC Name2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccccc1S(=O)(=O)C1CCC1
InChIInChI=1S/C12H14O5S/c13-11(12(14)15)9-6-1-2-7-10(9)18(16,17)8-4-3-5-8/h1-2,6-8,11,13H,3-5H2,(H,14,15)
InChIKeyRUVWMIJDTMVQSJ-UHFFFAOYSA-N
XLogP1.13
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
CID 117391624
methyl 2-(2-cyclopropylsulfonylphenyl)-2-hydroxyacetate
CID 117428957
2-(2-cyclobutylsulfanylphenyl)-2-hydroxyacetic acid
CID 117349355
3-(2-cyclobutylsulfonylphenyl)propanoic acid
CID 117424665
3-amino-1-(2-cyclobutylsulfonylphenyl)propan-1-one
CID 117421840
2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66679588
(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetic acid
CID 66680296
CID 70117604
CID 70117604
3-amino-3-[2-(oxetan-3-ylsulfonyl)phenyl]propanoic acid
CID 117459436
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid (CID 117428997) is 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccccc1S(=O)(=O)C1CCC1.
What is the InChIKey of 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid?
The InChIKey is RUVWMIJDTMVQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5S/c13-11(12(14)15)9-6-1-2-7-10(9)18(16,17)8-4-3-5-8/h1-2,6-8,11,13H,3-5H2,(H,14,15).
What are the key properties of 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid?
2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid has a molecular weight of 270.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117428997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).