2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid

C11H17N3O3 — CID 55156594

IUPAC2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccn(CC)c1=O)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-5-8(11(16)17)13-9-10(15)14(4-2)7-6-12-9/h6-8H,3-5H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyGLCRXWWZEPHVPA-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.93
Rot. Bonds6

About 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid

2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid (PubChem CID 55156594) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid
PubChem CID55156594
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccn(CC)c1=O)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-5-8(11(16)17)13-9-10(15)14(4-2)7-6-12-9/h6-8H,3-5H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyGLCRXWWZEPHVPA-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-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid (CID 55156594) is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid is CCCC(Nc1nccn(CC)c1=O)C(=O)O.
What is the InChIKey of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid?
The InChIKey is GLCRXWWZEPHVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-8(11(16)17)13-9-10(15)14(4-2)7-6-12-9/h6-8H,3-5H2,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid?
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic 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-[(4-ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 55156594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).