2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid

C10H13N3O4 — CID 55007879

IUPAC2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-6(10(16)17)5-13(2)9(15)7-3-12-8(14)4-11-7/h3-4,6H,5H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyGZFRXUJTXYRIFD-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.44
Rot. Bonds4

About 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid

2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 55007879) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID55007879
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-6(10(16)17)5-13(2)9(15)7-3-12-8(14)4-11-7/h3-4,6H,5H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyGZFRXUJTXYRIFD-UHFFFAOYSA-N
XLogP-0.44
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 55007879) is 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is CC(CN(C)C(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is GZFRXUJTXYRIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6(10(16)17)5-13(2)9(15)7-3-12-8(14)4-11-7/h3-4,6H,5H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 55007879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).