methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate

C10H15N3O2 — CID 66099125

IUPACmethyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate
SMILESCOC(=O)CC(C)(CN)c1cnccn1
InChIInChI=1S/C10H15N3O2/c1-10(7-11,5-9(14)15-2)8-6-12-3-4-13-8/h3-4,6H,5,7,11H2,1-2H3
InChIKeyWAZODSLUWLEQTP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.26
Rot. Bonds4

About methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate

methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate (PubChem CID 66099125) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate
PubChem CID66099125
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate
SMILESCOC(=O)CC(C)(CN)c1cnccn1
InChIInChI=1S/C10H15N3O2/c1-10(7-11,5-9(14)15-2)8-6-12-3-4-13-8/h3-4,6H,5,7,11H2,1-2H3
InChIKeyWAZODSLUWLEQTP-UHFFFAOYSA-N
XLogP0.26
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate?
The IUPAC name of methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate (CID 66099125) is methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate.
What is the SMILES notation for methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate?
The canonical SMILES for methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate is COC(=O)CC(C)(CN)c1cnccn1.
What is the InChIKey of methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate?
The InChIKey is WAZODSLUWLEQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(7-11,5-9(14)15-2)8-6-12-3-4-13-8/h3-4,6H,5,7,11H2,1-2H3.
What are the key properties of methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate?
methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate has a molecular weight of 209.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate is sourced from PubChem (CID 66099125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).