2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid

C8H14O4S2 — CID 5257135

IUPAC2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid
SMILESCC(C)(SSC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C8H14O4S2/c1-7(2,5(9)10)13-14-8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12)
InChIKeyVZKRQCCMGBRZHG-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.09
Rot. Bonds5

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

2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid (PubChem CID 5257135) has the molecular formula C8H14O4S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid
PubChem CID5257135
Molecular FormulaC8H14O4S2
Molecular Weight238.33 g/mol
Exact Mass238.03
IUPAC Name2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid
SMILESCC(C)(SSC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C8H14O4S2/c1-7(2,5(9)10)13-14-8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12)
InChIKeyVZKRQCCMGBRZHG-UHFFFAOYSA-N
XLogP2.09
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropanoic acid
CID 87781698
2-(butylsulfanylcarbonyldisulfanyl)-2-methylpropanoic acid
CID 171782264
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2-methyl-2-(2-methylpentylsulfanyl)propanoic acid
CID 81223418
2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid
CID 114491469
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
2,2-dimethylpropanedioic acid;hydrochloride
CID 87713726
2,2-dimethylpropanedioic acid;silver
CID 174269885
2-bromo-2-methylpropanoic acid
CID 159388254

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid (CID 5257135) is 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid is CC(C)(SSC(C)(C)C(=O)O)C(=O)O.
What is the InChIKey of 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid?
The InChIKey is VZKRQCCMGBRZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S2/c1-7(2,5(9)10)13-14-8(3,4)6(11)12/h1-4H3,(H,9,10)(H,11,12).
What are the key properties of 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid?
2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid has a molecular weight of 238.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxypropan-2-yldisulfanyl)-2-methylpropanoic acid is sourced from PubChem (CID 5257135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).