methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate

C11H19NO3 — CID 130997715

IUPACmethyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate
SMILESCOC(=O)C1CNCC12COC(C)(C)C2
InChIInChI=1S/C11H19NO3/c1-10(2)5-11(7-15-10)6-12-4-8(11)9(13)14-3/h8,12H,4-7H2,1-3H3
InChIKeyVTBHVXKMFIXJCQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.56
Rot. Bonds1

About methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate

methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate (PubChem CID 130997715) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate
PubChem CID130997715
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate
SMILESCOC(=O)C1CNCC12COC(C)(C)C2
InChIInChI=1S/C11H19NO3/c1-10(2)5-11(7-15-10)6-12-4-8(11)9(13)14-3/h8,12H,4-7H2,1-3H3
InChIKeyVTBHVXKMFIXJCQ-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.56
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 2-methoxy-6-azaspiro[3.4]octane-8-carboxylate
CID 106824169
methyl 4-(2-methoxyethyl)-4-methylpyrrolidine-3-carboxylate
CID 114486515
methyl (3R,4R)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 96885862
2,2-dimethyl-6-azaspiro[3.4]octane-8-carboxylic acid
CID 131143190
methyl 4-(2,4-dimethoxyphenyl)-4-methylpyrrolidine-3-carboxylate
CID 114486449
tert-butyl 2-(2,2-dimethylcyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170755384
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158
methyl 4-(3-fluorophenyl)-4-methylpyrrolidine-3-carboxylate
CID 114486517
1-(5-azaspiro[2.3]hexan-2-yl)ethanone
CID 84647837

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate?
The IUPAC name of methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate (CID 130997715) is methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate.
What is the SMILES notation for methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate?
The canonical SMILES for methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate is COC(=O)C1CNCC12COC(C)(C)C2.
What is the InChIKey of methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate?
The InChIKey is VTBHVXKMFIXJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2)5-11(7-15-10)6-12-4-8(11)9(13)14-3/h8,12H,4-7H2,1-3H3.
What are the key properties of methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate?
methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane-9-carboxylate is sourced from PubChem (CID 130997715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).