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

C11H17N3O3 — CID 55155060

IUPAC2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid
SMILESCCCn1ccnc(N(C)C(C)C(=O)O)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-6-14-7-5-12-9(10(14)15)13(3)8(2)11(16)17/h5,7-8H,4,6H2,1-3H3,(H,16,17)
InChIKeyLJKKRHYQGWRFRU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.56
Rot. Bonds5

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

2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid (PubChem CID 55155060) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid
PubChem CID55155060
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid
SMILESCCCn1ccnc(N(C)C(C)C(=O)O)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-6-14-7-5-12-9(10(14)15)13(3)8(2)11(16)17/h5,7-8H,4,6H2,1-3H3,(H,16,17)
InChIKeyLJKKRHYQGWRFRU-UHFFFAOYSA-N
XLogP0.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid (CID 55155060) is 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid is CCCn1ccnc(N(C)C(C)C(=O)O)c1=O.
What is the InChIKey of 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid?
The InChIKey is LJKKRHYQGWRFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-6-14-7-5-12-9(10(14)15)13(3)8(2)11(16)17/h5,7-8H,4,6H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid?
2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 55155060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).