(2S)-1-[tert-Butyl(dimethyl)silyl]-4-oxoazetidine-2-carboxylic acid , CAS No.82938-50-9

CAS: 82938-50-9 Cat. No.: S1057272 EC Number: 632-905-7 PubChem CID: 10489602

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)N1C(CC1=O)C(=O)O
• IUPAC Name: (2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidine-2-carboxylic acid
• InChIKey: LIEWITJXZYCDLE-ZETCQYMHSA-N
• INCHI: 1S/C10H19NO3Si/c1-10(2,3)15(4,5)11-7(9(13)14)6-8(11)12/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1
• Isomeric SMILES: CC(C)(C)[Si](C)(C)N1[C@@H](CC1=O)C(=O)O
• Alternate CAS: 82938-50-9
• PubChem CID: 10489602

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactams
      • Subclass Beta lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Monobactams
• Alternative Parents: Alpha amino acids and derivatives Azetidinecarboxylic acids Trialkylheterosilanes Organic metalloid salts N-silyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Monobactam - Alpha-amino acid or derivatives - Azetidinecarboxylic acid - Trialkylheterosilane - Azetidine - N-silyl compound - Organoheterosilane - Carboxylic acid derivative - Azacycle - Organic metalloid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organosilicon compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another 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

Chemical and Physical Properties

• Molecular Weight: 229.350 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 229.113 Da
• Monoisotopic Mass: 229.113 Da
• Topological Polar Surface Area: 57.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 306.000
• 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

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