1-[(tert-butoxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid - ≥97% , CAS No.1035351-06-4

CAS: 1035351-06-4 Cat. No.: T171770 Peso molecular: 217.221 Número EC: 869-451-6 PubChem CID: 59859689

GRADE & PURITY ≥97%

Synonyms

SB15926 | P13935 | A896426 | SY043173 | EN300-153690 | 1035351-06-4 | AS-51936 | 1-(tert-Butoxycarbonyl)-3-hydroxyazetidine-3-carboxylicacid | AKOS022187266 | MFCD24465599 | JUVBVTZAIHSJDI-UHFFFAOYSA-N | 1-[(tert-butoxy)carbonyl]-3-hydroxyazetidine-3-carb

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SB15926 | P13935 | A896426 | SY043173 | EN300-153690 | 1035351-06-4 | AS-51936 | 1-(tert-Butoxycarbonyl)-3-hydroxyazetidine-3-carboxylicacid | AKOS022187266 | MFCD24465599 | JUVBVTZAIHSJDI-UHFFFAOYSA-N | 1-[(tert-butoxy)carbonyl]-3-hydroxyazetidine-3-carb

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)N1CC(C1)(C(=O)O)O
• IUPAC Name: 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
• InChIKey: JUVBVTZAIHSJDI-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO5/c1-8(2,3)15-7(13)10-4-9(14,5-10)6(11)12/h14H,4-5H2,1-3H3,(H,11,12)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)O
• PubChem CID: 59859689
• Peso molecular: 217.221

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azetidines
      • Subclass Azetidinecarboxylic acids or derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Alpha hydroxy acids and derivatives Tertiary alcohols Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azetidinecarboxylic acid - Alpha-hydroxy acid - Hydroxy acid - Tertiary alcohol - Carbamic acid ester - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
• 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: 217.220 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 217.095 Da
• Monoisotopic Mass: 217.095 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 287.000
• 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