2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid

C8H11N3O3 — CID 53414238

IUPAC2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid
SMILESCN(C)c1nccn(CC(=O)O)c1=O
InChIInChI=1S/C8H11N3O3/c1-10(2)7-8(14)11(4-3-9-7)5-6(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyGAMMNZPCIMRJDP-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.61
Rot. Bonds3

About 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid

2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid (PubChem CID 53414238) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid
PubChem CID53414238
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid
SMILESCN(C)c1nccn(CC(=O)O)c1=O
InChIInChI=1S/C8H11N3O3/c1-10(2)7-8(14)11(4-3-9-7)5-6(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyGAMMNZPCIMRJDP-UHFFFAOYSA-N
XLogP-0.61
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid (CID 53414238) is 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid is CN(C)c1nccn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is GAMMNZPCIMRJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-10(2)7-8(14)11(4-3-9-7)5-6(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid?
2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 197.19 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 53414238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).