methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate

C11H19NO2 — CID 125425441

IUPACmethyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate
SMILESCOC(=O)[C@H]1NCC12CCC(C)CC2
InChIInChI=1S/C11H19NO2/c1-8-3-5-11(6-4-8)7-12-9(11)10(13)14-2/h8-9,12H,3-7H2,1-2H3/t8?,9-,11?/m1/s1
InChIKeyGVEHLUMRKWTNFW-INWMGODYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds1

About methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate

methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate (PubChem CID 125425441) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate
PubChem CID125425441
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate
SMILESCOC(=O)[C@H]1NCC12CCC(C)CC2
InChIInChI=1S/C11H19NO2/c1-8-3-5-11(6-4-8)7-12-9(11)10(13)14-2/h8-9,12H,3-7H2,1-2H3/t8?,9-,11?/m1/s1
InChIKeyGVEHLUMRKWTNFW-INWMGODYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
CID 125426547
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 126791141
methyl (3R,4R,7S)-7-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
CID 125426250
methyl (3R,4S)-6,6-difluoro-2-azaspiro[3.5]nonane-3-carboxylate
CID 125425406
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
3,7-dimethyl-2-azaspiro[3.5]nonane
CID 154690236
methyl (1'R,2R,3R,5'S)-spiro[azetidine-3,2'-bicyclo[3.1.0]hexane]-2-carboxylate
CID 125425350
methyl (3R,4R,5R)-5-methyl-6-oxa-2-azaspiro[3.4]octane-3-carboxylate
CID 125426381
tert-butyl 2-azaspiro[3.4]octane-3-carboxylate;hydrochloride
CID 146049305
methyl (3R,6R)-2,2-dichloro-5-azaspiro[2.3]hexane-6-carboxylate
CID 125425914
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
methyl 9-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxylate
CID 10466322

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate?
The IUPAC name of methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate (CID 125425441) is methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate.
What is the SMILES notation for methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate?
The canonical SMILES for methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate is COC(=O)[C@H]1NCC12CCC(C)CC2.
What is the InChIKey of methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate?
The InChIKey is GVEHLUMRKWTNFW-INWMGODYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-3-5-11(6-4-8)7-12-9(11)10(13)14-2/h8-9,12H,3-7H2,1-2H3/t8?,9-,11?/m1/s1.
What are the key properties of methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate?
methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-7-methyl-2-azaspiro[3.5]nonane-3-carboxylate is sourced from PubChem (CID 125425441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).