methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate

C11H15N3O3 — CID 66456836

IUPACmethyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OC2CC(CN)C2)n1
InChIInChI=1S/C11H15N3O3/c1-16-11(15)9-5-13-6-10(14-9)17-8-2-7(3-8)4-12/h5-8H,2-4,12H2,1H3
InChIKeyMKOIZSWOJZHWJG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds4

About methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate

methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate (PubChem CID 66456836) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate
PubChem CID66456836
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OC2CC(CN)C2)n1
InChIInChI=1S/C11H15N3O3/c1-16-11(15)9-5-13-6-10(14-9)17-8-2-7(3-8)4-12/h5-8H,2-4,12H2,1H3
InChIKeyMKOIZSWOJZHWJG-UHFFFAOYSA-N
XLogP0.38
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate?
The IUPAC name of methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate (CID 66456836) is methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate is COC(=O)c1cncc(OC2CC(CN)C2)n1.
What is the InChIKey of methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate?
The InChIKey is MKOIZSWOJZHWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-11(15)9-5-13-6-10(14-9)17-8-2-7(3-8)4-12/h5-8H,2-4,12H2,1H3.
What are the key properties of methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate?
methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate is sourced from PubChem (CID 66456836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).