3-(3-methoxypyrazin-2-yl)butanoic acid

C9H12N2O3 — CID 104516745

IUPAC3-(3-methoxypyrazin-2-yl)butanoic acid
SMILESCOc1nccnc1C(C)CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-6(5-7(12)13)8-9(14-2)11-4-3-10-8/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyOZGGNYPBQBYYSL-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.06
Rot. Bonds4

About 3-(3-methoxypyrazin-2-yl)butanoic acid

3-(3-methoxypyrazin-2-yl)butanoic acid (PubChem CID 104516745) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(3-methoxypyrazin-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-methoxypyrazin-2-yl)butanoic acid
PubChem CID104516745
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(3-methoxypyrazin-2-yl)butanoic acid
SMILESCOc1nccnc1C(C)CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-6(5-7(12)13)8-9(14-2)11-4-3-10-8/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyOZGGNYPBQBYYSL-UHFFFAOYSA-N
XLogP1.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid
CID 84679533
4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-ol
CID 105123882
3-methoxypyrazine-2-carboxylic acid
CID 22395692
1-(3-methoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 104515130
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
CID 115831089
(3-methoxypyrazin-2-yl)-(2H-triazol-4-yl)methanol
CID 104515213
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]butanoic acid
CID 119347873
1-(3-methoxypyrazin-2-yl)-N,2-dimethylbutan-1-amine
CID 104515585
(3-methoxypyrazin-2-yl)-(4-propan-2-ylphenyl)methanol
CID 104514527
1-(3-methoxypyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105123869
1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one
CID 104514881

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrazin-2-yl)butanoic acid?
The IUPAC name of 3-(3-methoxypyrazin-2-yl)butanoic acid (CID 104516745) is 3-(3-methoxypyrazin-2-yl)butanoic acid.
What is the SMILES notation for 3-(3-methoxypyrazin-2-yl)butanoic acid?
The canonical SMILES for 3-(3-methoxypyrazin-2-yl)butanoic acid is COc1nccnc1C(C)CC(=O)O.
What is the InChIKey of 3-(3-methoxypyrazin-2-yl)butanoic acid?
The InChIKey is OZGGNYPBQBYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(5-7(12)13)8-9(14-2)11-4-3-10-8/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of 3-(3-methoxypyrazin-2-yl)butanoic acid?
3-(3-methoxypyrazin-2-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrazin-2-yl)butanoic acid is sourced from PubChem (CID 104516745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).