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

C9H11N3O4 — CID 62627256

IUPAC2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-5(9(15)16)12(2)8(14)6-3-11-7(13)4-10-6/h3-5H,1-2H3,(H,11,13)(H,15,16)
InChIKeyISJKTTRVPAPSDD-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.69
Rot. Bonds3

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

2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 62627256) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID62627256
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-5(9(15)16)12(2)8(14)6-3-11-7(13)4-10-6/h3-5H,1-2H3,(H,11,13)(H,15,16)
InChIKeyISJKTTRVPAPSDD-UHFFFAOYSA-N
XLogP-0.69
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 62627256) is 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is ISJKTTRVPAPSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-5(9(15)16)12(2)8(14)6-3-11-7(13)4-10-6/h3-5H,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62627256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).