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(S)-1-Boc-4-Hydroxy-2-pyrrolidinone - ≥97%, high purity , CAS No.320343-58-6
Basic Description
Specifications & Purity
≥97%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidones
Intermediate Tree Nodes
Not available
Direct Parent
Oxoprolines
Alternative Parents
Pyrrolidine carboxylic acids Pyrrolidine-2-ones Dicarboximides Carbamate esters Secondary alcohols Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 2-pyrrolidone - Dicarboximide - Carbamic acid ester - Secondary alcohol - Lactam - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxoprolines. These are compounds containing an oxoproline moiety, which consists of a pyrrolidine ring bearing a carboxylic acid group at the ring position 2, and a ketone group.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
tert-butyl (4S)-4-hydroxy-2-oxopyrrolidine-1-carboxylate
INCHI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h6,11H,4-5H2,1-3H3/t6-/m0/s1
InChIKey
GUVYWSACSIYEDN-LURJTMIESA-N
Smiles
CC(C)(C)OC(=O)N1CC(CC1=O)O
Isomeric SMILES
CC(C)(C)OC(=O)N1C[C@H](CC1=O)O
Molecular Weight
201.22
Reaxy-Rn
14639521
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14639521&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
201.220 g/mol
XLogP3
0.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
201.1 Da
Monoisotopic Mass
201.1 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
256.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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