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methyl (1R,2S,5S)-rel-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride - 97%, high purity
Basic Description
Synonyms
927679-50-3 | methyl (1R,2S,5S)-rel-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride | (1R,2S,5S)-rel-Methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride | methyl (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride | 72496-46-9 | methyl (
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Sugar amino acids and derivatives
Direct Parent
Bicyclic amino acids and derivatives
Alternative Parents
Alpha amino acid esters Piperidinecarboxylic acids Pyrrolidine carboxylic acids Methyl esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bicyclic amino acid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Piperidine - Methyl ester - Pyrrolidine - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Hydrochloride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bicyclic amino acids and derivatives. These are sugar amino acids in which the amino acid is attached to or partly borne within a bicyclic ring system.
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
methyl (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
INCHI
InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-5-2-4(5)3-8-6;/h4-6,8H,2-3H2,1H3;1H/t4-,5-,6+;/m1./s1
InChIKey
WYQMWVWFYJQAIB-JMWSHJPJSA-N
Smiles
COC(=O)C1C2CC2CN1.Cl
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
177.630 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
177.056 Da
Monoisotopic Mass
177.056 Da
Topological Polar Surface Area
38.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
169.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
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
2
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