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

C11H17N3O3 — CID 62939535

IUPACethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nccn(CC)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-14-7-6-12-9(10(14)15)13-8(3)11(16)17-5-2/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyCKNRLCYOFNUHPA-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.63
Rot. Bonds5

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

ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate (PubChem CID 62939535) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate
PubChem CID62939535
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nccn(CC)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-14-7-6-12-9(10(14)15)13-8(3)11(16)17-5-2/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyCKNRLCYOFNUHPA-UHFFFAOYSA-N
XLogP0.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate (CID 62939535) is ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate is CCOC(=O)C(C)Nc1nccn(CC)c1=O.
What is the InChIKey of ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate?
The InChIKey is CKNRLCYOFNUHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14-7-6-12-9(10(14)15)13-8(3)11(16)17-5-2/h6-8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate?
ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethyl-3-oxopyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 62939535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).