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929971-93-7 molecular structure
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tert-butyl 8-hydroxy-5-azaspiro[3.5]nonane-5-carboxylate

ChemBase ID: 162596
Molecular Formular: C13H23NO3
Molecular Mass: 241.32662
Monoisotopic Mass: 241.1677936
SMILES and InChIs

SMILES:
C1N(C2(CC(C1)O)CCC2)C(=O)OC(C)(C)C
Canonical SMILES:
OC1CCN(C2(C1)CCC2)C(=O)OC(C)(C)C
InChI:
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-5-10(15)9-13(14)6-4-7-13/h10,15H,4-9H2,1-3H3
InChIKey:
HEGAYMHXIDYCSW-UHFFFAOYSA-N

Cite this record

CBID:162596 http://www.chembase.cn/molecule-162596.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 8-hydroxy-5-azaspiro[3.5]nonane-5-carboxylate
IUPAC Traditional name
tert-butyl 8-hydroxy-5-azaspiro[3.5]nonane-5-carboxylate
Synonyms
8-Hydroxy-5-azaspiro[3.5]nonane-5-carboxylic Acid 1,1-Dimethylethyl Ester
N-Boc-8-hydroxy-5-azaspiro[3.5]nonane
tert-butyl 8-hydroxy-5-azaspiro[3.5]nonane-5-carboxylate
CAS Number
929971-93-7
MDL Number
MFCD09040692
PubChem SID
162256731
PubChem CID
16228745

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16228745 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.158854  H Acceptors
H Donor LogD (pH = 5.5) 1.2422761 
LogD (pH = 7.4) 1.2422761  Log P 1.2422761 
Molar Refractivity 65.1146 cm3 Polarizability 25.756233 Å3
Polar Surface Area 49.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.654 expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B656600 external link
An intermediate in the new synthesis of 2-spiropiperidines.

REFERENCES

REFERENCES

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  • • Ciblat, S., et al.: Tetrahedron Lett., 42, 4815 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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