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tert-butyl (3S,4S)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate - 97%, high purity
Discover tert-butyl (3S,4S)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate by Aladdin Scientific in 97% for only $399.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
252574-03-1 | (3S,4S)-tert-butyl 3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate | tert-butyl (3S,4S)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate | (3S,4S)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine | 138026-89-8 | 1-pyrrolidinecarboxylic acid, 3-hydroxy-
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
Phenylmethylamines Benzylamines Aralkylamines Carbamate esters Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Phenylmethylamine - Pyrrolidine carboxylic acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Amine - Organic oxide - Aromatic heteromonocyclic 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
tert-butyl (3S,4S)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate
INCHI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(14(19)11-18)17-9-12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t13-,14-/m0/s1
InChIKey
GVYATPKTSSTHKN-KBPBESRZSA-N
Smiles
CC(C)(C)OC(=O)N1CC(C(C1)O)NCC2=CC=CC=C2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
292.370 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
292.179 Da
Monoisotopic Mass
292.179 Da
Topological Polar Surface Area
61.800 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
348.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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