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trans-2-{[(tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid - 97%, high purity
Basic Description
Synonyms
951173-25-4 | 951173-38-9 | trans-2-{[(tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid | (1R,2R)-2-{[(tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylic acid | Trans-2-([(tert-butoxy)carbonyl]amino)cyclobutane-1-carboxylic acid | (1R,2R)-2-((tert-butoxyca
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 - Carbamic acids and derivatives
Direct Parent
Carbamate esters
Alternative Parents
Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
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
(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
INCHI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-5-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7-/m1/s1
InChIKey
JTMAFJQIPKPNFJ-RNFRBKRXSA-N
Smiles
CC(C)(C)OC(=O)NC1CCC1C(=O)O
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
215.250 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
215.116 Da
Monoisotopic Mass
215.116 Da
Topological Polar Surface Area
75.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
269.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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