methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate

C10H17NO3 — CID 134920090

IUPACmethyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CCNC12CCCCO2
InChIInChI=1S/C10H17NO3/c1-13-9(12)8-4-6-11-10(8)5-2-3-7-14-10/h8,11H,2-7H2,1H3
InChIKeyZYOVSUMTVOSVJX-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.67
Rot. Bonds1

About methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate

methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate (PubChem CID 134920090) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate
PubChem CID134920090
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CCNC12CCCCO2
InChIInChI=1S/C10H17NO3/c1-13-9(12)8-4-6-11-10(8)5-2-3-7-14-10/h8,11H,2-7H2,1H3
InChIKeyZYOVSUMTVOSVJX-UHFFFAOYSA-N
XLogP0.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-thia-1-azaspiro[4.5]decane-4-carboxylate
CID 131353395
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
dimethyl (2R,3R)-2-methylpyrrolidine-2,3-dicarboxylate
CID 102306290
dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
CID 139085135
dimethyl 2-methoxyoxane-2,3-dicarboxylate
CID 156770328
methyl 4-methyl-6-oxa-1-azaspiro[4.5]decane-4-carboxylate
CID 134920069
methyl 7-oxa-1-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 155970957
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate
CID 134859614
methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
CID 129381539
methyl 1-azaspiro[3.4]octane-2-carboxylate
CID 167715027
methyl 2-(oxan-2-yl)piperidine-2-carboxylate
CID 115103614

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate (CID 134920090) is methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate is COC(=O)C1CCNC12CCCCO2.
What is the InChIKey of methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is ZYOVSUMTVOSVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-9(12)8-4-6-11-10(8)5-2-3-7-14-10/h8,11H,2-7H2,1H3.
What are the key properties of methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate?
methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 134920090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).