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

C12H19N3O3 — CID 55156401

IUPAC2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nccn(CC)c1=O)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-3-5-6-9(12(17)18)14-10-11(16)15(4-2)8-7-13-10/h7-9H,3-6H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyCMPAQHKLWJQAAE-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.32
Rot. Bonds7

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

2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid (PubChem CID 55156401) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid
PubChem CID55156401
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nccn(CC)c1=O)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-3-5-6-9(12(17)18)14-10-11(16)15(4-2)8-7-13-10/h7-9H,3-6H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyCMPAQHKLWJQAAE-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.32
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]hexanoic acid?
The IUPAC name of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid (CID 55156401) is 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid is CCCCC(Nc1nccn(CC)c1=O)C(=O)O.
What is the InChIKey of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid?
The InChIKey is CMPAQHKLWJQAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-5-6-9(12(17)18)14-10-11(16)15(4-2)8-7-13-10/h7-9H,3-6H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid?
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.32, 7 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]hexanoic acid is sourced from PubChem (CID 55156401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).