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DL-2-Isobutylserine - 95%, high purity , CAS No.7522-44-3
Basic Description
Synonyms
7522-44-3 | 2-amino-2-(hydroxymethyl)-4-methylpentanoic acid | DL-2-ISOBUTYLSERINE | SCHEMBL3100826 | DTXSID10370029 | LS-13361
Specifications & Purity
≥95%
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 Hydroxy fatty acids Beta hydroxy acids and derivatives Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-amino acid - Beta-hydroxy acid - Branched fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Hydroxy acid - Fatty acyl - Fatty acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Organonitrogen compound - Primary alcohol - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - 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
504761045
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504761045
IUPAC Name
2-amino-2-(hydroxymethyl)-4-methylpentanoic acid
INCHI
InChI=1S/C7H15NO3/c1-5(2)3-7(8,4-9)6(10)11/h5,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKey
UKFHHTGBNYQWFD-UHFFFAOYSA-N
Smiles
CC(C)CC(CO)(C(=O)O)N
Isomeric SMILES
CC(C)CC(CO)(C(=O)O)N
Molecular Weight
161.2
Reaxy-Rn
2078885
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078885&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
161.200 g/mol
XLogP3
-2.500
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
161.105 Da
Monoisotopic Mass
161.105 Da
Topological Polar Surface Area
83.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
147.000
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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J2009570