3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid

C8H10N2O3S — CID 103224293

IUPAC3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid
SMILESCOCC(Sc1cnccn1)C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-13-5-6(8(11)12)14-7-4-9-2-3-10-7/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyXVPJOUWKNZELOB-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.67
Rot. Bonds5

About 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid

3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid (PubChem CID 103224293) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid
PubChem CID103224293
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid
SMILESCOCC(Sc1cnccn1)C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-13-5-6(8(11)12)14-7-4-9-2-3-10-7/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyXVPJOUWKNZELOB-UHFFFAOYSA-N
XLogP0.67
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid
CID 103224342
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-methoxypropanoic acid
CID 103224246
3-pyrazin-2-ylsulfanylbutan-1-ol
CID 66138101
methyl 2-phenyl-3-pyrazin-2-ylsulfanylpropanoate
CID 64566022
2-(6-methoxycarbonylpyrazin-2-yl)sulfanylbutanoic acid
CID 105354909
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide
CID 22767808
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
CID 64704753
2-(5-amino-2-methylphenyl)sulfanyl-3-methoxypropanoic acid
CID 103224324
ethyl 2-methyl-3-pyrazin-2-ylsulfanylpropanoate
CID 63381166
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropanoic acid
CID 103224340
butyl 2-pyrazin-2-ylsulfanylacetate
CID 63380450

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid?
The IUPAC name of 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid (CID 103224293) is 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid?
The canonical SMILES for 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid is COCC(Sc1cnccn1)C(=O)O.
What is the InChIKey of 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid?
The InChIKey is XVPJOUWKNZELOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-13-5-6(8(11)12)14-7-4-9-2-3-10-7/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid?
3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid has a molecular weight of 214.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-pyrazin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 103224293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).