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tert-butyl 6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate - 97%, high purity
Basic Description
Synonyms
1363381-56-9 | 1389264-27-0 | 1-BOC-6-HYDROXY-1-AZASPIRO[3.3]HEPTANE | 1419101-19-1 | tert-Butyl 6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate | tert-butyl trans-6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate | tert-butyl cis-6-hydroxy-1-azaspiro[3.3]heptane-1-carbo
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Azetidinecarboxylic acids or derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Azetidinecarboxylic acids
Alternative Parents
Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azetidinecarboxylic acid - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Cyclobutanol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
tert-butyl 6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate
INCHI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-5-4-11(12)6-8(13)7-11/h8,13H,4-7H2,1-3H3
InChIKey
ZWWHBQKHQHYPPF-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC12CC(C2)O
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.270 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
213.136 Da
Monoisotopic Mass
213.136 Da
Topological Polar Surface Area
49.800 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
276.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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