methyl 6-azaspiro[3.4]octane-8-carboxylate

C9H15NO2 — CID 86811534

IUPACmethyl 6-azaspiro[3.4]octane-8-carboxylate
SMILESCOC(=O)C1CNCC12CCC2
InChIInChI=1S/C9H15NO2/c1-12-8(11)7-5-10-6-9(7)3-2-4-9/h7,10H,2-6H2,1H3
InChIKeyKMHQNENKIORXOA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds1

About methyl 6-azaspiro[3.4]octane-8-carboxylate

methyl 6-azaspiro[3.4]octane-8-carboxylate (PubChem CID 86811534) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 6-azaspiro[3.4]octane-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-azaspiro[3.4]octane-8-carboxylate
PubChem CID86811534
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 6-azaspiro[3.4]octane-8-carboxylate
SMILESCOC(=O)C1CNCC12CCC2
InChIInChI=1S/C9H15NO2/c1-12-8(11)7-5-10-6-9(7)3-2-4-9/h7,10H,2-6H2,1H3
InChIKeyKMHQNENKIORXOA-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-azaspiro[3.4]octane-8-carboxylate?
The IUPAC name of methyl 6-azaspiro[3.4]octane-8-carboxylate (CID 86811534) is methyl 6-azaspiro[3.4]octane-8-carboxylate.
What is the SMILES notation for methyl 6-azaspiro[3.4]octane-8-carboxylate?
The canonical SMILES for methyl 6-azaspiro[3.4]octane-8-carboxylate is COC(=O)C1CNCC12CCC2.
What is the InChIKey of methyl 6-azaspiro[3.4]octane-8-carboxylate?
The InChIKey is KMHQNENKIORXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-8(11)7-5-10-6-9(7)3-2-4-9/h7,10H,2-6H2,1H3.
What are the key properties of methyl 6-azaspiro[3.4]octane-8-carboxylate?
methyl 6-azaspiro[3.4]octane-8-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-azaspiro[3.4]octane-8-carboxylate is sourced from PubChem (CID 86811534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).