1-{[(tert-butoxy)carbonyl]amino}-3-methoxycyclobutane-1-carboxylic acid - ≥97% , CAS No.1700442-25-6

CAS: 1700442-25-6 Cat. No.: M630225 Peso molecular: 245.28 Número EC: 842-702-7 PubChem CID: 106822754

GRADE & PURITY ≥97%

Synonyms

(1s,3s)-1-{[(tert-butoxy)carbonyl]amino}-3-methoxycyclobutane-1-carboxylic acid | trans-1-(tert-butoxycarbonylamino)-3-methoxy-cyclobutanecarboxylic acid | 1-((tert-Butoxycarbonyl)amino)-3-methoxycyclobutane-1-carboxylic acid | 1-{[(t-Butoxy)carbonyl]amin

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(1s, 3s)-1-{[(tert-butoxy)carbonyl]amino}-3-methoxycyclobutane-1-carboxylic acid | trans-1-(tert-butoxycarbonylamino)-3-methoxy-cyclobutanecarboxylic acid | 1-((tert-Butoxycarbonyl)amino)-3-methoxycyclobutane-1-carboxylic acid | 1-{[(t-Butoxy)carbonyl]amin

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)NC1(CC(C1)OC)C(=O)O
• IUPAC Name: 3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
• InChIKey: DUZSBLQOTMZVAN-UHFFFAOYSA-N
• INCHI: 1S/C11H19NO5/c1-10(2,3)17-9(15)12-11(8(13)14)5-7(6-11)16-4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1(CC(C1)OC)C(=O)O
• CAS alternativo: 2166823-89-6,1700442-25-6
• PubChem CID: 106822754
• Peso molecular: 245.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• 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: Carbamate esters Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Carbamic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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

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: 245.270 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 245.126 Da
• Monoisotopic Mass: 245.126 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 314.000
• 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