2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

C9H9N3O6 — CID 55245938

IUPAC2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H9N3O6/c13-6-2-10-5(1-11-6)9(18)12(3-7(14)15)4-8(16)17/h1-2H,3-4H2,(H,11,13)(H,14,15)(H,16,17)
InChIKeyZQEXCBQXOIDYDR-UHFFFAOYSA-N
MW255.19 g/mol
LogP-1.62
Rot. Bonds5

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

2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 55245938) has the molecular formula C9H9N3O6 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID55245938
Molecular FormulaC9H9N3O6
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H9N3O6/c13-6-2-10-5(1-11-6)9(18)12(3-7(14)15)4-8(16)17/h1-2H,3-4H2,(H,11,13)(H,14,15)(H,16,17)
InChIKeyZQEXCBQXOIDYDR-UHFFFAOYSA-N
XLogP-1.62
TPSA140.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 55245938) is 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is ZQEXCBQXOIDYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O6/c13-6-2-10-5(1-11-6)9(18)12(3-7(14)15)4-8(16)17/h1-2H,3-4H2,(H,11,13)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 255.19 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 55245938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).