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1-[(tert-butoxy)carbonyl]-5-methylpiperidine-3-carboxylic acid - 97%, high purity , CAS No.1365887-45-1
Discover 1-[(tert-butoxy)carbonyl]-5-methylpiperidine-3-carboxylic acid by Aladdin Scientific in 97% for only $425.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1365887-45-1 | 1-[(tert-butoxy)carbonyl]-5-methylpiperidine-3-carboxylic acid | MFCD24532008 | 1-(tert-butoxycarbonyl)-5-methylpiperidine-3-carboxylic acid | 1-Boc-5-methylpiperidine-3-carboxylic acid | 1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethyleth
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
Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Carbamic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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
5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
INCHI
InChI=1S/C12H21NO4/c1-8-5-9(10(14)15)7-13(6-8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKey
BPUPMHVBVYPFDZ-UHFFFAOYSA-N
Smiles
CC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric SMILES
CC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)O
PubChem CID
66786454
Molecular Weight
243.303
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
243.300 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
243.147 Da
Monoisotopic Mass
243.147 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
308.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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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