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

C11H17N3O3 — CID 62938372

IUPAC3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
SMILESCCCn1ccnc(NC(C)CC(=O)O)c1=O
InChIInChI=1S/C11H17N3O3/c1-3-5-14-6-4-12-10(11(14)17)13-8(2)7-9(15)16/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyBIRHPRMFTAACBI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.93
Rot. Bonds6

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

3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid (PubChem CID 62938372) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
PubChem CID62938372
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
SMILESCCCn1ccnc(NC(C)CC(=O)O)c1=O
InChIInChI=1S/C11H17N3O3/c1-3-5-14-6-4-12-10(11(14)17)13-8(2)7-9(15)16/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyBIRHPRMFTAACBI-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 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid (CID 62938372) is 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid is CCCn1ccnc(NC(C)CC(=O)O)c1=O.
What is the InChIKey of 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The InChIKey is BIRHPRMFTAACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-14-6-4-12-10(11(14)17)13-8(2)7-9(15)16/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
3-[(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 3-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 62938372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).