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tert-butyl 7-oxo-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate - 97%, high purity , CAS No.1363381-20-7
Basic Description
Synonyms
1363381-20-7 | 2-BOC-5-OXA-2,8-DIAZA-SPIRO[3.5]NONAN-7-ONE | tert-butyl 7-oxo-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate | SCHEMBL21886745 | MFCD22566166 | AKOS025403525 | PB38128 | AS-73931 | CS-0028386 | P13292 | 2-Boc-7-oxo-5-oxa-2,8-diazaspiro[3.5]
Specifications & Purity
≥97%
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
Morpholines Carbamate esters Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azetidinecarboxylic acid - Morpholine - Oxazinane - Carbamic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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 7-oxo-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
INCHI
InChI=1S/C11H18N2O4/c1-10(2,3)17-9(15)13-6-11(7-13)5-12-8(14)4-16-11/h4-7H2,1-3H3,(H,12,14)
InChIKey
XVGAQOILVLJWLR-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CO2
Isomeric SMILES
CC(C)(C)OC(=O)N1CC2(C1)CNC(=O)CO2
PubChem CID
72208102
Molecular Weight
242.28
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
242.270 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
242.127 Da
Monoisotopic Mass
242.127 Da
Topological Polar Surface Area
67.900 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
342.000
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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