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

C11H17N3O3 — CID 55155250

IUPACethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1nccn(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-17-9(15)5-7-13(2)10-11(16)14(3)8-6-12-10/h6,8H,4-5,7H2,1-3H3
InChIKeyVNYIOLMKUYUOJF-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.17
Rot. Bonds5

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

ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate (PubChem CID 55155250) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
PubChem CID55155250
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1nccn(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-4-17-9(15)5-7-13(2)10-11(16)14(3)8-6-12-10/h6,8H,4-5,7H2,1-3H3
InChIKeyVNYIOLMKUYUOJF-UHFFFAOYSA-N
XLogP0.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate (CID 55155250) is ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate is CCOC(=O)CCN(C)c1nccn(C)c1=O.
What is the InChIKey of ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
The InChIKey is VNYIOLMKUYUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-17-9(15)5-7-13(2)10-11(16)14(3)8-6-12-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate?
ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 55155250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).