2-(dimethylamino)-2-pyrazin-2-ylacetic acid

C8H11N3O2 — CID 82408477

IUPAC2-(dimethylamino)-2-pyrazin-2-ylacetic acid
SMILESCN(C)C(C(=O)O)c1cnccn1
InChIInChI=1S/C8H11N3O2/c1-11(2)7(8(12)13)6-5-9-3-4-10-6/h3-5,7H,1-2H3,(H,12,13)
InChIKeyIZEGTVRJTAXTHQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.16
Rot. Bonds3

About 2-(dimethylamino)-2-pyrazin-2-ylacetic acid

2-(dimethylamino)-2-pyrazin-2-ylacetic acid (PubChem CID 82408477) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(dimethylamino)-2-pyrazin-2-ylacetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-pyrazin-2-ylacetic acid
PubChem CID82408477
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(dimethylamino)-2-pyrazin-2-ylacetic acid
SMILESCN(C)C(C(=O)O)c1cnccn1
InChIInChI=1S/C8H11N3O2/c1-11(2)7(8(12)13)6-5-9-3-4-10-6/h3-5,7H,1-2H3,(H,12,13)
InChIKeyIZEGTVRJTAXTHQ-UHFFFAOYSA-N
XLogP0.16
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-pyrazin-2-ylacetic acid?
The IUPAC name of 2-(dimethylamino)-2-pyrazin-2-ylacetic acid (CID 82408477) is 2-(dimethylamino)-2-pyrazin-2-ylacetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-pyrazin-2-ylacetic acid?
The canonical SMILES for 2-(dimethylamino)-2-pyrazin-2-ylacetic acid is CN(C)C(C(=O)O)c1cnccn1.
What is the InChIKey of 2-(dimethylamino)-2-pyrazin-2-ylacetic acid?
The InChIKey is IZEGTVRJTAXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(2)7(8(12)13)6-5-9-3-4-10-6/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-(dimethylamino)-2-pyrazin-2-ylacetic acid?
2-(dimethylamino)-2-pyrazin-2-ylacetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-pyrazin-2-ylacetic acid is sourced from PubChem (CID 82408477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).