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

C11H17N3O3 — CID 55156400

IUPAC2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
SMILESCCCn1ccnc(NC(CC)C(=O)O)c1=O
InChIInChI=1S/C11H17N3O3/c1-3-6-14-7-5-12-9(10(14)15)13-8(4-2)11(16)17/h5,7-8H,3-4,6H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyGOJUUCPPQJULEX-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.93
Rot. Bonds6

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

2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid (PubChem CID 55156400) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
PubChem CID55156400
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
SMILESCCCn1ccnc(NC(CC)C(=O)O)c1=O
InChIInChI=1S/C11H17N3O3/c1-3-6-14-7-5-12-9(10(14)15)13-8(4-2)11(16)17/h5,7-8H,3-4,6H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyGOJUUCPPQJULEX-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid (CID 55156400) is 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid is CCCn1ccnc(NC(CC)C(=O)O)c1=O.
What is the InChIKey of 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The InChIKey is GOJUUCPPQJULEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-6-14-7-5-12-9(10(14)15)13-8(4-2)11(16)17/h5,7-8H,3-4,6H2,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 55156400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).