methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate

C10H17NO3 — CID 106824169

IUPACmethyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
SMILESCOC(=O)C1CNCC12CC(OC)C2
InChIInChI=1S/C10H17NO3/c1-13-7-3-10(4-7)6-11-5-8(10)9(12)14-2/h7-8,11H,3-6H2,1-2H3
InChIKeyWFPHHTGEWWYEDT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.17
Rot. Bonds2

About methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate

methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate (PubChem CID 106824169) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
PubChem CID106824169
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
SMILESCOC(=O)C1CNCC12CC(OC)C2
InChIInChI=1S/C10H17NO3/c1-13-7-3-10(4-7)6-11-5-8(10)9(12)14-2/h7-8,11H,3-6H2,1-2H3
InChIKeyWFPHHTGEWWYEDT-UHFFFAOYSA-N
XLogP0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
CID 129381539
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
CID 104706034
methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate
CID 130997715
methyl (3R,4R)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 96885862
methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
CID 114486515
tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170755384
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731
methyl 4-(3-fluorophenyl)-4-methylpyrrolidine-3-carboxylate
CID 114486517
ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
CID 114486788
methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
CID 125426547
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate?
The IUPAC name of methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate (CID 106824169) is methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate is COC(=O)C1CNCC12CC(OC)C2.
What is the InChIKey of methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate?
The InChIKey is WFPHHTGEWWYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-7-3-10(4-7)6-11-5-8(10)9(12)14-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate?
methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate is sourced from PubChem (CID 106824169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).