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

C11H15N3O4 — CID 54925454

IUPAC2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-3-7(2)14(6-10(16)17)11(18)8-4-13-9(15)5-12-8/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCPQHLPSCYHAWDE-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.10
Rot. Bonds5

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

2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 54925454) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID54925454
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-3-7(2)14(6-10(16)17)11(18)8-4-13-9(15)5-12-8/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCPQHLPSCYHAWDE-UHFFFAOYSA-N
XLogP0.10
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 54925454) is 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is CPQHLPSCYHAWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-7(2)14(6-10(16)17)11(18)8-4-13-9(15)5-12-8/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54925454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).