2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid

C15H16N2O2 — CID 104571517

IUPAC2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid
SMILESCc1cnc(C)c(C(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C15H16N2O2/c1-10-9-16-11(2)14(17-10)13(15(18)19)8-12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,18,19)
InChIKeyMHUJVSLIJFGFNH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.50
Rot. Bonds4

About 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid

2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid (PubChem CID 104571517) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid
PubChem CID104571517
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid
SMILESCc1cnc(C)c(C(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C15H16N2O2/c1-10-9-16-11(2)14(17-10)13(15(18)19)8-12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,18,19)
InChIKeyMHUJVSLIJFGFNH-UHFFFAOYSA-N
XLogP2.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-isoquinolin-1-yl-3-phenylpropanoic acid
CID 104571632
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanoic acid
CID 104571505
3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572711
(2S)-2,3-diphenylpropanoic acid
CID 737125
2,4-bis(2,6-dimethyl-4-pyridinyl)-1,5-diphenylpentan-3-one
CID 150680372
3-(3-methoxyphenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572414
2-(3-bromo-5-methyl-2-pyridinyl)-3-(4-bromophenyl)propanoic acid
CID 105368877
2-(6-methyl-3-pyridinyl)-3-phenylpropanamide
CID 69080693
2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid
CID 104571529
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-(3-bromo-5-chloro-2-pyridinyl)-3-(4-methylphenyl)propanoic acid
CID 114838809
2-(cyclobuten-1-yl)-3-phenylpropanoic acid
CID 57255521

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid (CID 104571517) is 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid is Cc1cnc(C)c(C(Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid?
The InChIKey is MHUJVSLIJFGFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-9-16-11(2)14(17-10)13(15(18)19)8-12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid?
2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 104571517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).