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1-tert-butyl 2-methyl (2R)-aziridine-1,2-dicarboxylate - 97%, high purity , CAS No.1239355-46-4
Basic Description
Synonyms
1239355-46-4 | (R)-1-tert-Butyl 2-methyl aziridine-1,2-dicarboxylate | (R)-Methyl 1-N-Boc-aziridine-2-carboxylate | 1-tert-butyl 2-methyl (2R)-aziridine-1,2-dicarboxylate | 1-O-tert-butyl 2-O-methyl (2R)-aziridine-1,2-dicarboxylate | 1,2-Aziridinedicarboxylic acid,
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Aziridinecarboxylic acids Methyl esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Aziridinecarboxylic acid - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Aziridine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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
1-O-tert-butyl 2-O-methyl (2R)-aziridine-1,2-dicarboxylate
INCHI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-5-6(10)7(11)13-4/h6H,5H2,1-4H3/t6-,10?/m1/s1
InChIKey
OHKDZMSOHBQKDL-ZMMDDIOLSA-N
Smiles
CC(C)(C)OC(=O)N1CC1C(=O)OC
Isomeric SMILES
CC(C)(C)OC(=O)N1C[C@@H]1C(=O)OC
PubChem CID
27282454
Molecular Weight
201.222
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
201.220 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
201.1 Da
Monoisotopic Mass
201.1 Da
Topological Polar Surface Area
55.600 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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