methyl 1-azaspiro[3.4]octane-2-carboxylate

C9H15NO2 — CID 167715027

IUPACmethyl 1-azaspiro[3.4]octane-2-carboxylate
SMILESCOC(=O)C1CC2(CCCC2)N1
InChIInChI=1S/C9H15NO2/c1-12-8(11)7-6-9(10-7)4-2-3-5-9/h7,10H,2-6H2,1H3
InChIKeyXLNCCCQWOPSOIS-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds1

About methyl 1-azaspiro[3.4]octane-2-carboxylate

methyl 1-azaspiro[3.4]octane-2-carboxylate (PubChem CID 167715027) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 1-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-azaspiro[3.4]octane-2-carboxylate
PubChem CID167715027
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 1-azaspiro[3.4]octane-2-carboxylate
SMILESCOC(=O)C1CC2(CCCC2)N1
InChIInChI=1S/C9H15NO2/c1-12-8(11)7-6-9(10-7)4-2-3-5-9/h7,10H,2-6H2,1H3
InChIKeyXLNCCCQWOPSOIS-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of methyl 1-azaspiro[3.4]octane-2-carboxylate (CID 167715027) is methyl 1-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for methyl 1-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for methyl 1-azaspiro[3.4]octane-2-carboxylate is COC(=O)C1CC2(CCCC2)N1.
What is the InChIKey of methyl 1-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is XLNCCCQWOPSOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-8(11)7-6-9(10-7)4-2-3-5-9/h7,10H,2-6H2,1H3.
What are the key properties of methyl 1-azaspiro[3.4]octane-2-carboxylate?
methyl 1-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 167715027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).