3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid

C15H17N3O2 — CID 114474409

IUPAC3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid
SMILESCc1ncc(NCC(C(=O)O)c2ccccc2)nc1C
InChIInChI=1S/C15H17N3O2/c1-10-11(2)18-14(9-16-10)17-8-13(15(19)20)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyTUXGPJQNQMENIO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.37
Rot. Bonds5

About 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid

3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid (PubChem CID 114474409) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid
PubChem CID114474409
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid
SMILESCc1ncc(NCC(C(=O)O)c2ccccc2)nc1C
InChIInChI=1S/C15H17N3O2/c1-10-11(2)18-14(9-16-10)17-8-13(15(19)20)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyTUXGPJQNQMENIO-UHFFFAOYSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 114474497
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699
1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol
CID 114476222
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-(2-ethylanilino)-2-phenylpropanoic acid
CID 64566858
3-(4-ethylanilino)-2-phenylpropanoic acid
CID 64566244
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 62940771
2-phenyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304326
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid (CID 114474409) is 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid is Cc1ncc(NCC(C(=O)O)c2ccccc2)nc1C.
What is the InChIKey of 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid?
The InChIKey is TUXGPJQNQMENIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-11(2)18-14(9-16-10)17-8-13(15(19)20)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid?
3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethylpyrazin-2-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 114474409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).