5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-1-carboxylic acid - ≥97% , CAS No.150543-61-6

CAS: 150543-61-6 Cat. No.: T174367 Molecular Weight: 241.287 EC Number: 856-526-3 PubChem CID: 21760135

GRADE & PURITY ≥97%

Synonyms

AM805652 | SY042015 | 5-BOC-5-AZASPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID | 5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-1-carboxylicacid | SCHEMBL9566391 | 5-(TERT-BUTOXYCARBONYL)-5-AZASPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID | 5-[(2-methylpropan-2-yl)oxycarbony

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AM805652 | SY042015 | 5-BOC-5-AZASPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID | 5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-1-carboxylicacid | SCHEMBL9566391 | 5-(TERT-BUTOXYCARBONYL)-5-AZASPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID | 5-[(2-methylpropan-2-yl)oxycarbony

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC2(C1)CC2C(=O)O
• IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-2-carboxylic acid
• InChIKey: QXRGGYBREHVBNA-UHFFFAOYSA-N
• INCHI: 1S/C12H19NO4/c1-11(2,3)17-10(16)13-5-4-12(7-13)6-8(12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CC2C(=O)O
• PubChem CID: 21760135
• Molecular Weight: 241.287

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Cyclopropanecarboxylic acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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: 241.280 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.131 Da
• Monoisotopic Mass: 241.131 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1