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cyclobutaneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, trans- - 97%, high purity , CAS No.1434142-05-8
Discover cyclobutaneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, trans- by Aladdin Scientific in 97% for only $3,690.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1434142-05-8 | 1434141-68-0 | 1638772-19-6 | cis-3-(Boc-amino)cyclobutylacetic acid | 2-(trans-3-((tert-Butoxycarbonyl)amino)cyclobutyl)acetic acid | 2-[cis-3-{[(tert-butoxy)carbonyl]amino}cyclobutyl]acetic acid | 2-[3-(tert-Butoxycarbonylamino)cyclobutyl]acetic acid
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
Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]acetic acid
INCHI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-4-7(5-8)6-9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
FITPVQKCXOGZGO-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)NC1CC(C1)CC(=O)O
Isomeric SMILES
CC(C)(C)OC(=O)NC1CC(C1)CC(=O)O
Molecular Weight
229.276
Reaxy-Rn
30093485
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30093485&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
229.270 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
229.131 Da
Monoisotopic Mass
229.131 Da
Topological Polar Surface Area
75.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
276.000
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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