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2-(1-tert-butoxycarbonyl-4-piperidyl)-2-methyl-propanoic acid - 97%, high purity , CAS No.865156-85-0
Basic Description
Synonyms
2-(1-tert-butoxycarbonyl-4-piperidyl)-2-methyl-propanoic acid | MFCD18837722 | GEJGNVUIZCNZEK-UHFFFAOYSA-N | 2-(1-t-Butoxycarbonyl-4-piperidyl)-2-methyl-propanoic acid | 2-(1-(Boc)-piperidin-4-yl)-2-methylpropanoic acid | AKOS023841738 | P19544 | tert-But
Specifications & Purity
≥97%
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 Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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
2-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
INCHI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-8-6-10(7-9-15)14(4,5)11(16)17/h10H,6-9H2,1-5H3,(H,16,17)
InChIKey
GEJGNVUIZCNZEK-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(CC1)C(C)(C)C(=O)O
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(C)(C)C(=O)O
Alternate CAS
865156-85-0
PubChem CID
67391096
Molecular Weight
271.35
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
271.350 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
271.178 Da
Monoisotopic Mass
271.178 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
349.000
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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