(S)-tert-Butyl (5-oxopyrrolidin-3-yl)carbamate - ≥95% , CAS No.672883-23-7

CAS: 672883-23-7 Cat. No.: S194518 Peso molecular: 200.24 PubChem CID: 45091936

GRADE & PURITY ≥95%

Synonyms

DTXSID40666922 | XBB88323 | AC-30502 | PFHVTCWJHBHEFA-LURJTMIESA-N | (S)-tert-Butyl(5-oxopyrrolidin-3-yl)carbamate | (S)-(5-Oxo-pyrrolidin-3-yl)-carbamic acid tert-butyl ester | (S)-tert-butyl 5-oxopyrrolidin-3-ylcarbamate | SCHEMBL6815007 | tert-butyl ((

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID40666922 | XBB88323 | AC-30502 | PFHVTCWJHBHEFA-LURJTMIESA-N | (S)-tert-Butyl(5-oxopyrrolidin-3-yl)carbamate | (S)-(5-Oxo-pyrrolidin-3-yl)-carbamic acid tert-butyl ester | (S)-tert-butyl 5-oxopyrrolidin-3-ylcarbamate | SCHEMBL6815007 | tert-butyl ((

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1CC(=O)NC1
• IUPAC Name: tert-butyl N-[(3S)-5-oxopyrrolidin-3-yl]carbamate
• InChIKey: PFHVTCWJHBHEFA-LURJTMIESA-N
• INCHI: 1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@H]1CC(=O)NC1
• PubChem CID: 45091936
• Peso molecular: 200.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Carbamate esters Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Carbamic acid ester - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine 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: 200.230 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.116 Da
• Monoisotopic Mass: 200.116 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 245.000
• 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