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Ac-Glu-OMe - ≥97%, high purity , CAS No.17015-15-5
Basic Description
Specifications & Purity
≥97%
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
Glutamic acid and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid esters Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Acetamides Secondary carboxylic acid amides Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Glutamic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Acetamide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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
(4S)-4-acetamido-5-methoxy-5-oxopentanoic acid
INCHI
InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14-2)3-4-7(11)12/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey
XDCCXFLKDREFMO-LURJTMIESA-N
Smiles
CC(=O)NC(CCC(=O)O)C(=O)OC
Isomeric SMILES
CC(=O)N[C@@H](CCC(=O)O)C(=O)OC
PubChem CID
7021424
Molecular Weight
203.19
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
203.190 g/mol
XLogP3
-1.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
203.079 Da
Monoisotopic Mass
203.079 Da
Topological Polar Surface Area
92.700 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
238.000
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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