3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid

C9H12N2O3 — CID 83831149

IUPAC3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid
SMILESCOc1cnc(CC(C)C(=O)O)cn1
InChIInChI=1S/C9H12N2O3/c1-6(9(12)13)3-7-4-11-8(14-2)5-10-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeySKKFMBBZENFWSG-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.75
Rot. Bonds4

About 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid

3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid (PubChem CID 83831149) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid
PubChem CID83831149
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid
SMILESCOc1cnc(CC(C)C(=O)O)cn1
InChIInChI=1S/C9H12N2O3/c1-6(9(12)13)3-7-4-11-8(14-2)5-10-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeySKKFMBBZENFWSG-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-1-(5-methoxypyrazin-2-yl)propane-2-sulfonamide
CID 122702466
3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 105483713
3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
CID 83901573
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid
CID 83837741
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
ethane;2-methoxy-5-propylpyrazine
CID 145191148
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
methanol;1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-[1-(5-methoxypyrazin-2-yl)propan-2-ylsulfanyl]methanamine
CID 145191197
3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 122072863

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid (CID 83831149) is 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid is COc1cnc(CC(C)C(=O)O)cn1.
What is the InChIKey of 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid?
The InChIKey is SKKFMBBZENFWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(9(12)13)3-7-4-11-8(14-2)5-10-7/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid?
3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83831149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).