2-methoxy-3-methylsulfanylpropanoic acid

C5H10O3S — CID 86664688

IUPAC2-methoxy-3-methylsulfanylpropanoic acid
SMILESCOC(CSC)C(=O)O
InChIInChI=1S/C5H10O3S/c1-8-4(3-9-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyRFEOXNTXPBKXJY-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.45
Rot. Bonds4

About 2-methoxy-3-methylsulfanylpropanoic acid

2-methoxy-3-methylsulfanylpropanoic acid (PubChem CID 86664688) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-methoxy-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-methoxy-3-methylsulfanylpropanoic acid
PubChem CID86664688
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-methoxy-3-methylsulfanylpropanoic acid
SMILESCOC(CSC)C(=O)O
InChIInChI=1S/C5H10O3S/c1-8-4(3-9-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyRFEOXNTXPBKXJY-UHFFFAOYSA-N
XLogP0.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylsulfanylpropanoic acid?
The IUPAC name of 2-methoxy-3-methylsulfanylpropanoic acid (CID 86664688) is 2-methoxy-3-methylsulfanylpropanoic acid.
What is the SMILES notation for 2-methoxy-3-methylsulfanylpropanoic acid?
The canonical SMILES for 2-methoxy-3-methylsulfanylpropanoic acid is COC(CSC)C(=O)O.
What is the InChIKey of 2-methoxy-3-methylsulfanylpropanoic acid?
The InChIKey is RFEOXNTXPBKXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-8-4(3-9-2)5(6)7/h4H,3H2,1-2H3,(H,6,7).
What are the key properties of 2-methoxy-3-methylsulfanylpropanoic acid?
2-methoxy-3-methylsulfanylpropanoic acid has a molecular weight of 150.20 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 86664688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).