2-(2-propan-2-yloxyethylsulfinyl)propanoic acid

C8H16O4S — CID 61482943

IUPAC2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
SMILESCC(C)OCCS(=O)C(C)C(=O)O
InChIInChI=1S/C8H16O4S/c1-6(2)12-4-5-13(11)7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyUPWBCNMIUOUMNR-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.63
Rot. Bonds6

About 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid

2-(2-propan-2-yloxyethylsulfinyl)propanoic acid (PubChem CID 61482943) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
PubChem CID61482943
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
SMILESCC(C)OCCS(=O)C(C)C(=O)O
InChIInChI=1S/C8H16O4S/c1-6(2)12-4-5-13(11)7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyUPWBCNMIUOUMNR-UHFFFAOYSA-N
XLogP0.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid?
The IUPAC name of 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid (CID 61482943) is 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid.
What is the SMILES notation for 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid?
The canonical SMILES for 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid is CC(C)OCCS(=O)C(C)C(=O)O.
What is the InChIKey of 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid?
The InChIKey is UPWBCNMIUOUMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S/c1-6(2)12-4-5-13(11)7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid?
2-(2-propan-2-yloxyethylsulfinyl)propanoic acid has a molecular weight of 208.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethylsulfinyl)propanoic acid is sourced from PubChem (CID 61482943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).