2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid

C15H16N2O3 — CID 104571529

IUPAC2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid
SMILESCCOc1cncc(C(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C15H16N2O3/c1-2-20-14-10-16-9-13(17-14)12(15(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,18,19)
InChIKeyGBSAWZBWHDNVHU-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.29
Rot. Bonds6

About 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid

2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid (PubChem CID 104571529) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid
PubChem CID104571529
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid
SMILESCCOc1cncc(C(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C15H16N2O3/c1-2-20-14-10-16-9-13(17-14)12(15(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,18,19)
InChIKeyGBSAWZBWHDNVHU-UHFFFAOYSA-N
XLogP2.29
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid
CID 104572677
2-[6-[6-(2-ethoxyphenoxy)-2-pyridinyl]pyrazin-2-yl]-3-phenylpropanamide
CID 162747294
N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
CID 65029274
3-phenyl-2-pyrimidin-4-ylpropanoic acid
CID 104571562
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
2-(3,6-dimethylpyrazin-2-yl)-3-phenylpropanoic acid
CID 104571517
3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 104571555
2-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-3-phenylpropanamide
CID 156801462
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-(5-nitro-2-pyridinyl)-3-phenylpropanoic acid
CID 104571604
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid?
The IUPAC name of 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid (CID 104571529) is 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid?
The canonical SMILES for 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid is CCOc1cncc(C(Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid?
The InChIKey is GBSAWZBWHDNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-14-10-16-9-13(17-14)12(15(18)19)8-11-6-4-3-5-7-11/h3-7,9-10,12H,2,8H2,1H3,(H,18,19).
What are the key properties of 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid?
2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 104571529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).