(2R)-2-benzyl-3-{[(tert-butoxy)carbonyl]amino}propanoic acid - ≥97% , CAS No.262301-38-2

CAS: 262301-38-2 Cat. No.: R175934 Peso molecular: 279.336 Número EC: 687-265-1

GRADE & PURITY ≥97%

Synonyms

(2R)-2-benzyl-3-{[(tert-butoxy)carbonyl]amino}propanoic acid | (R)-2-((tert-butoxycarbonyl)methyl)-3-phenylpropanoic acid | DS-10532 | Boc-(R)-3-amino-2-benzylpropanoic acid | BENZENEPROPANOIC ACID, ALPHA-[[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]METHYL]-, (A

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(2R)-2-benzyl-3-{[(tert-butoxy)carbonyl]amino}propanoic acid | (R)-2-((tert-butoxycarbonyl)methyl)-3-phenylpropanoic acid | DS-10532 | Boc-(R)-3-amino-2-benzylpropanoic acid | BENZENEPROPANOIC ACID, ALPHA-[[[(1, 1-DIMETHYLETHOXY)CARBONYL]AMINO]METHYL]-, (A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)C(=O)O
• IUPAC Name: (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• InChIKey: ZYCITKXROAFBAR-GFCCVEGCSA-N
• INCHI: 1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)NC[C@@H](CC1=CC=CC=C1)C(=O)O
• Peso molecular: 279.336
• Reaxy-Rn: 10350154
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10350154&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - 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 - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 279.330 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 279.147 Da
• Monoisotopic Mass: 279.147 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 329.000
• 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