4-(tert-butoxycarbonylamino)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid - ≥97% , CAS No.2287287-55-0

CAS: 2287287-55-0 Cat. No.: O632505 Molecular Weight: 243.26 EC Number: 838-451-8 PubChem CID: 137943575

GRADE & PURITY ≥97%

Synonyms

2287287-55-0 | 4-(tert-Butoxycarbonylamino)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid | 4-{[(tert-butoxy)carbonyl]amino}-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid | PS-19706 | AT21434 | SY291366 | Z3326420059 | MFCD31794700 | EN300-27193596 | 4-BOC-AM

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2287287-55-0 | 4-(tert-Butoxycarbonylamino)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid | 4-{[(tert-butoxy)carbonyl]amino}-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid | PS-19706 | AT21434 | SY291366 | Z3326420059 | MFCD31794700 | EN300-27193596 | 4-BOC-AM

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NC12CC(C1)(OC2)C(=O)O
• IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
• InChIKey: KBLSTQQTVKLCFW-UHFFFAOYSA-N
• INCHI: 1S/C11H17NO5/c1-9(2,3)17-8(15)12-10-4-11(5-10,7(13)14)16-6-10/h4-6H2,1-3H3,(H,12,15)(H,13,14)
• Isomeric SMILES: CC(C)(C)OC(=O)NC12CC(C1)(OC2)C(=O)O
• Alternate CAS: 2287287-55-0
• PubChem CID: 137943575
• Molecular Weight: 243.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Heterocyclic fatty acids
• Alternative Parents: Branched fatty acids Tetrahydrofurans Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Heterocyclic fatty acid - Branched fatty acid - Carbamic acid ester - Tetrahydrofuran - Carbonic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain.
• 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