2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid

C8H11N3O2 — CID 105439289

IUPAC2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid
SMILESCc1ncc(C(N)C(=O)O)nc1C
InChIInChI=1S/C8H11N3O2/c1-4-5(2)11-6(3-10-4)7(9)8(12)13/h3,7H,9H2,1-2H3,(H,12,13)
InChIKeyUGTMPVVMPOISKS-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.18
Rot. Bonds2

About 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid

2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid (PubChem CID 105439289) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid
PubChem CID105439289
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid
SMILESCc1ncc(C(N)C(=O)O)nc1C
InChIInChI=1S/C8H11N3O2/c1-4-5(2)11-6(3-10-4)7(9)8(12)13/h3,7H,9H2,1-2H3,(H,12,13)
InChIKeyUGTMPVVMPOISKS-UHFFFAOYSA-N
XLogP0.18
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid (CID 105439289) is 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid is Cc1ncc(C(N)C(=O)O)nc1C.
What is the InChIKey of 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid?
The InChIKey is UGTMPVVMPOISKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-5(2)11-6(3-10-4)7(9)8(12)13/h3,7H,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid?
2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid is sourced from PubChem (CID 105439289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).