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6-[(tert-butoxy)carbonyl]-5H,6H,7H,8H-pyrido[3,4-b]pyrazine-7-carboxylic acid - 97%, high purity , CAS No.264623-57-6
Discover 6-[(tert-butoxy)carbonyl]-5H,6H,7H,8H-pyrido[3,4-b]pyrazine-7-carboxylic acid by Aladdin Scientific in 97% for only $3,421.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
264623-57-6 | 6-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine-7-carboxylic acid | 6-BOC-5,6,7,8-TETRAHYDROPYRIDO[3,4-B]PYRAZINE-7-CARBOXYLIC ACID | 6-[(tert-butoxy)carbonyl]-5H,6H,7H,8H-pyrido[3,4-b]pyrazine-7-carboxylic acid | MFCD04973511 | 6-(ter
Specifications & Purity
≥97%
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Pyrazines Heteroaromatic compounds Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazine - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Amino acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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
6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid
INCHI
InChI=1S/C13H17N3O4/c1-13(2,3)20-12(19)16-7-9-8(14-4-5-15-9)6-10(16)11(17)18/h4-5,10H,6-7H2,1-3H3,(H,17,18)
InChIKey
LIXAAVSIXNGDTL-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CC2=NC=CN=C2CC1C(=O)O
Isomeric SMILES
CC(C)(C)OC(=O)N1CC2=NC=CN=C2CC1C(=O)O
PubChem CID
46839925
Molecular Weight
279.296
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
279.290 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
279.122 Da
Monoisotopic Mass
279.122 Da
Topological Polar Surface Area
92.600 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
394.000
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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