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(R)-Benzyl (2，6-dioxopiperidin-3-yl)carbamate - ≥96%, high purity , CAS No.179915-11-8
Basic Description
Specifications & Purity
≥96%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Alpha amino acids and derivatives Piperidinediones Delta lactams N-unsubstituted carboxylic acid imides Dicarboximides Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzyloxycarbonyl - Piperidinedione - Delta-lactam - Piperidinone - Piperidine - Carboxylic acid imide - Dicarboximide - Carbamic acid ester - Carboxylic acid imide, n-unsubstituted - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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
benzyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate
INCHI
InChI=1S/C13H14N2O4/c16-11-7-6-10(12(17)15-11)14-13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,15,16,17)/t10-/m1/s1
InChIKey
JJFWWAGUYKLJRN-SNVBAGLBSA-N
Smiles
C1CC(=O)NC(=O)C1NC(=O)OCC2=CC=CC=C2
Isomeric SMILES
C1CC(=O)NC(=O)[C@@H]1NC(=O)OCC2=CC=CC=C2
PubChem CID
7173935
Molecular Weight
262.265
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
262.260 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
262.095 Da
Monoisotopic Mass
262.095 Da
Topological Polar Surface Area
84.500 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
364.000
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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