Name: (2S)-2-(tert-butoxycarbonylamino)-3-cyclobutyl-propanoic acid - ≥97% , CAS No.478183-60-7
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Carbocyclic fatty acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Alpha-amino acid or derivatives - Carbocyclic fatty acid - Fatty acyl - 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
Descripción	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	243.300 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	243.147 Da
Monoisotopic Mass	243.147 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	291.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	CC(C)(C)OC(=O)NC(CC1CCC1)C(=O)O
IUPAC Name	(2S)-3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChIKey	CXKVEJHPQAZLCY-VIFPVBQESA-N
INCHI	1S/C12H21NO4/c1-12(2,3)17-11(16)13-9(10(14)15)7-8-5-4-6-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
Isómeros SMILES	CC(C)(C)OC(=O)N[C@@H](CC1CCC1)C(=O)O
CAS alternativo	478183-60-7
PubChem CID	57350121
Peso molecular	243.3

(2S)-2-(tert-butoxycarbonylamino)-3-cyclobutyl-propanoic acid - ≥97% , CAS No.478183-60-7

Specifications