2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid

C9H12N2O4 — CID 130571087

IUPAC2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid
SMILESCc1nccn(CC(C)(O)C(=O)O)c1=O
InChIInChI=1S/C9H12N2O4/c1-6-7(12)11(4-3-10-6)5-9(2,15)8(13)14/h3-4,15H,5H2,1-2H3,(H,13,14)
InChIKeyLIOZZVKNAZKXFY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.61
Rot. Bonds3

About 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid

2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid (PubChem CID 130571087) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid
PubChem CID130571087
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid
SMILESCc1nccn(CC(C)(O)C(=O)O)c1=O
InChIInChI=1S/C9H12N2O4/c1-6-7(12)11(4-3-10-6)5-9(2,15)8(13)14/h3-4,15H,5H2,1-2H3,(H,13,14)
InChIKeyLIOZZVKNAZKXFY-UHFFFAOYSA-N
XLogP-0.61
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methylpyrazin-2-one
CID 90291055
(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 95374823
N-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
CID 130571190
2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
CID 130571123
2-methyl-1-(2-methylimidazol-1-yl)propan-2-ol
CID 19434665
2-[1-(2,2-dimethylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 61167069
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
2-hydroxy-2-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoic acid
CID 66171632
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
3-[2-(2-methylimidazol-1-yl)ethylsulfonyl]propanoic acid
CID 61493428
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid (CID 130571087) is 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid is Cc1nccn(CC(C)(O)C(=O)O)c1=O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid?
The InChIKey is LIOZZVKNAZKXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-7(12)11(4-3-10-6)5-9(2,15)8(13)14/h3-4,15H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid?
2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid has a molecular weight of 212.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanoic acid is sourced from PubChem (CID 130571087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).