2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid

C11H17N3O3 — CID 55155061

IUPAC2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid
SMILESCC(CNc1nccn(C(C)C)c1=O)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7(2)14-5-4-12-9(10(14)15)13-6-8(3)11(16)17/h4-5,7-8H,6H2,1-3H3,(H,12,13)(H,16,17)
InChIKeySZEIGRPRTMFAJE-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.96
Rot. Bonds5

About 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid

2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid (PubChem CID 55155061) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid
PubChem CID55155061
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid
SMILESCC(CNc1nccn(C(C)C)c1=O)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-7(2)14-5-4-12-9(10(14)15)13-6-8(3)11(16)17/h4-5,7-8H,6H2,1-3H3,(H,12,13)(H,16,17)
InChIKeySZEIGRPRTMFAJE-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid (CID 55155061) is 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid is CC(CNc1nccn(C(C)C)c1=O)C(=O)O.
What is the InChIKey of 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid?
The InChIKey is SZEIGRPRTMFAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)14-5-4-12-9(10(14)15)13-6-8(3)11(16)17/h4-5,7-8H,6H2,1-3H3,(H,12,13)(H,16,17).
What are the key properties of 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid?
2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 55155061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).