methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate

C10H18N2O2 — CID 84668362

IUPACmethyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CC2CN
InChIInChI=1S/C10H18N2O2/c1-14-9(13)12-4-2-10(3-5-12)6-8(10)7-11/h8H,2-7,11H2,1H3
InChIKeyKKIWMQBDMBLHGL-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.81
Rot. Bonds1

About methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate

methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 84668362) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID84668362
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CC2CN
InChIInChI=1S/C10H18N2O2/c1-14-9(13)12-4-2-10(3-5-12)6-8(10)7-11/h8H,2-7,11H2,1H3
InChIKeyKKIWMQBDMBLHGL-UHFFFAOYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
CID 83907150
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
CID 83847995
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
methyl 2-cyano-5-azaspiro[2.4]heptane-5-carboxylate
CID 84657361
methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 71244313
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
methyl 4-(2-aminoacetyl)piperidine-1-carboxylate
CID 115006817
methyl 4-carbamothioyl-4-methylpiperidine-1-carboxylate
CID 107161220

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate (CID 84668362) is methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate is COC(=O)N1CCC2(CC1)CC2CN.
What is the InChIKey of methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is KKIWMQBDMBLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-9(13)12-4-2-10(3-5-12)6-8(10)7-11/h8H,2-7,11H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate?
methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 84668362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).