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1-[(tert-butoxy)carbonyl]-4-(methoxycarbonyl)piperidine-4-carboxylic acid - 97%, high purity , CAS No.1005738-45-3
Discover 1-[(tert-butoxy)carbonyl]-4-(methoxycarbonyl)piperidine-4-carboxylic acid by Aladdin Scientific in 97% for only $2,919.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1005738-45-3 | 1-[(tert-butoxy)carbonyl]-4-(methoxycarbonyl)piperidine-4-carboxylic acid | 1-(tert-butoxycarbonyl)-4-(methoxycarbonyl)piperidine-4-carboxylic acid | 1-Boc-4-(methoxycarbonyl)piperidine-4-carboxylic acid | Piperidine-1,4,4-tricarboxylic acid 1-tert
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Dicarboxylic acids and derivatives Methyl esters Carbamate esters Tertiary amines Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Dicarboxylic acid or derivatives - Carbamic acid ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Amino acid - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
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
4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
INCHI
InChI=1S/C13H21NO6/c1-12(2,3)20-11(18)14-7-5-13(6-8-14,9(15)16)10(17)19-4/h5-8H2,1-4H3,(H,15,16)
InChIKey
MFPPLBPVSINTPM-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)C(=O)OC
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)C(=O)OC
PubChem CID
57920282
Molecular Weight
287.312
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
287.310 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
287.137 Da
Monoisotopic Mass
287.137 Da
Topological Polar Surface Area
93.100 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
404.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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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