2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid

C11H17N3O3 — CID 65416226

IUPAC2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid
SMILESCOCCC(Nc1nc(C)cnc1C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7-6-12-8(2)10(13-7)14-9(11(15)16)4-5-17-3/h6,9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHHEWGTKOJYPNKA-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.00
Rot. Bonds6

About 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid

2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid (PubChem CID 65416226) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid
PubChem CID65416226
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid
SMILESCOCCC(Nc1nc(C)cnc1C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7-6-12-8(2)10(13-7)14-9(11(15)16)4-5-17-3/h6,9H,4-5H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHHEWGTKOJYPNKA-UHFFFAOYSA-N
XLogP1.00
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid (CID 65416226) is 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid is COCCC(Nc1nc(C)cnc1C)C(=O)O.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid?
The InChIKey is HHEWGTKOJYPNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-6-12-8(2)10(13-7)14-9(11(15)16)4-5-17-3/h6,9H,4-5H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid?
2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 65416226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).