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alpha-Methyl-DL-valine - 98％, high purity , CAS No.26287-62-7
Basic Description
Synonyms
SY115820 | Valine, 2-methyl- | LS-13198 | MFCD00672376 | H--Me-DL-Val-OH | 2-Amino-2,3-dimethylbutanoic acid | 2-AMINO-2,3-DIMETHYL-BUTANOIC ACID | H-Alpha-Me-Dl-Val-Oh | alpha-Methyl-DL-valine | EN300-206248 | SCHEMBL62852 | Isovaline, 3-methyl- | FT-067
Specifications & Purity
≥98%
Storage Temp
Room temperature
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 acids
Alternative Parents
Methyl-branched fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
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
Pubchem Sid
504757978
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504757978
IUPAC Name
2-amino-2,3-dimethylbutanoic acid
INCHI
InChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)
InChIKey
GPYTYOMSQHBYTK-UHFFFAOYSA-N
Smiles
CC(C)C(C)(C(=O)O)N
Isomeric SMILES
CC(C)C(C)(C(=O)O)N
Molecular Weight
131.17
Reaxy-Rn
1702631
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702631&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
131.170 g/mol
XLogP3
-1.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
131.095 Da
Monoisotopic Mass
131.095 Da
Topological Polar Surface Area
63.300 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
122.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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A2208307