3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid

C10H18O6S — CID 123114382

IUPAC3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid
SMILESCCCOCCOC(=O)CS(=O)CCC(=O)O
InChIInChI=1S/C10H18O6S/c1-2-4-15-5-6-16-10(13)8-17(14)7-3-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKeyWFOXYFAMHCKUTA-UHFFFAOYSA-N
MW266.31 g/mol
LogP0.18
Rot. Bonds10

About 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid

3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid (PubChem CID 123114382) has the molecular formula C10H18O6S and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid.

Molecular Properties

Compound Name3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid
PubChem CID123114382
Molecular FormulaC10H18O6S
Molecular Weight266.31 g/mol
Exact Mass266.08
IUPAC Name3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid
SMILESCCCOCCOC(=O)CS(=O)CCC(=O)O
InChIInChI=1S/C10H18O6S/c1-2-4-15-5-6-16-10(13)8-17(14)7-3-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKeyWFOXYFAMHCKUTA-UHFFFAOYSA-N
XLogP0.18
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
4-oxo-4-[4-(4-propoxybutoxy)butoxy]butanoic acid
CID 87460185
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 160630926
2-propoxyethyl 3-(diethylamino)propanoate
CID 58184879
4-[2-(3-methylbutoxy)-2-oxoethyl]sulfinylbutanoic acid
CID 123123218
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 162774593
3-[[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylmethyl]benzoic acid
CID 123109739
2-(2-butoxyethylsulfinyl)acetic acid
CID 61483654
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
CID 58559856
2-(2-propoxyethoxy)ethyl pent-4-ynoate
CID 134215375
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid?
The IUPAC name of 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid (CID 123114382) is 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid.
What is the SMILES notation for 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid?
The canonical SMILES for 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid is CCCOCCOC(=O)CS(=O)CCC(=O)O.
What is the InChIKey of 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid?
The InChIKey is WFOXYFAMHCKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6S/c1-2-4-15-5-6-16-10(13)8-17(14)7-3-9(11)12/h2-8H2,1H3,(H,11,12).
What are the key properties of 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid?
3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid has a molecular weight of 266.31 g/mol, XLogP of 0.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-propoxyethoxy)ethyl]sulfinylpropanoic acid is sourced from PubChem (CID 123114382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).