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5-[(tert-butoxy)carbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid - 97%, high purity , CAS No.1363381-67-2
Discover 5-[(tert-butoxy)carbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid by Aladdin Scientific in 97% for only $5,324.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrrolidine carboxylic acid - Carbamic acid ester - Amino acid or derivatives - Tertiary amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
INCHI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-4-5-13(14)7-9(8-13)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
JPRDSXJTSHIDCU-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCCC12CC(C2)C(=O)O
Isomeric SMILES
CC(C)(C)OC(=O)N1CCCC12CC(C2)C(=O)O
PubChem CID
56962184
Molecular Weight
255.314
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
255.310 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
255.147 Da
Monoisotopic Mass
255.147 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
366.000
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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