2-(2-tert-butylsulfonylethoxy)propanoic acid

C9H18O5S — CID 106721813

IUPAC2-(2-tert-butylsulfonylethoxy)propanoic acid
SMILESCC(OCCS(=O)(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H18O5S/c1-7(8(10)11)14-5-6-15(12,13)9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyCFVANDGOOSVIAA-UHFFFAOYSA-N
MW238.30 g/mol
LogP0.69
Rot. Bonds5

About 2-(2-tert-butylsulfonylethoxy)propanoic acid

2-(2-tert-butylsulfonylethoxy)propanoic acid (PubChem CID 106721813) has the molecular formula C9H18O5S and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethoxy)propanoic acid
PubChem CID106721813
Molecular FormulaC9H18O5S
Molecular Weight238.30 g/mol
Exact Mass238.09
IUPAC Name2-(2-tert-butylsulfonylethoxy)propanoic acid
SMILESCC(OCCS(=O)(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H18O5S/c1-7(8(10)11)14-5-6-15(12,13)9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyCFVANDGOOSVIAA-UHFFFAOYSA-N
XLogP0.69
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-difluorobutoxy)propanoic acid
CID 84658279
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
2-(2-fluoroethoxy)propanoic acid
CID 84648269
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
2-(2-tert-butylsulfonylethylsulfinyl)propanoic acid
CID 106728522
2-(2-aminooxyethoxy)propanoic acid
CID 175557781
4-tert-butylsulfonyl-2-methoxycarbonylbutanoic acid
CID 106736002
3-(2-tert-butylsulfonylethylsulfanyl)-2-methylpropanoic acid
CID 106721869
(2S)-2-(3-cyano-3-methylbutoxy)propanoic acid
CID 104876020
2,2,3-trimethyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594884
(2S)-2-(2-methylsulfanylethoxy)propanoic acid
CID 104875904
2-but-3-enoxypropanoic acid
CID 43128770

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethoxy)propanoic acid?
The IUPAC name of 2-(2-tert-butylsulfonylethoxy)propanoic acid (CID 106721813) is 2-(2-tert-butylsulfonylethoxy)propanoic acid.
What is the SMILES notation for 2-(2-tert-butylsulfonylethoxy)propanoic acid?
The canonical SMILES for 2-(2-tert-butylsulfonylethoxy)propanoic acid is CC(OCCS(=O)(=O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2-tert-butylsulfonylethoxy)propanoic acid?
The InChIKey is CFVANDGOOSVIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5S/c1-7(8(10)11)14-5-6-15(12,13)9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-(2-tert-butylsulfonylethoxy)propanoic acid?
2-(2-tert-butylsulfonylethoxy)propanoic acid has a molecular weight of 238.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethoxy)propanoic acid is sourced from PubChem (CID 106721813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).