(2S)-1-[(tert-butoxy)carbonyl]-3,3-dimethyl-4-oxopyrrolidine-2-carboxylic acid - ≥97% , CAS No.478700-27-5

CAS: 478700-27-5 Cat. No.: D633959 Molecular Weight: 257.29 PubChem CID: 58682320

GRADE & PURITY ≥97%

Synonyms

478700-27-5 | (2S)-1-[(tert-butoxy)carbonyl]-3,3-dimethyl-4-oxopyrrolidine-2-carboxylic acid | 1-Boc-(s)-3,3-dimethyl-4-oxopyrrolidine-2-carboxylic acid | (S)-1-(tert-butoxycarbonyl)-3,3-dimethyl-4-oxopyrrolidine-2-carboxylic acid | SCHEMBL875307 | MFCD29

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

478700-27-5 | (2S)-1-[(tert-butoxy)carbonyl]-3, 3-dimethyl-4-oxopyrrolidine-2-carboxylic acid | 1-Boc-(s)-3, 3-dimethyl-4-oxopyrrolidine-2-carboxylic acid | (S)-1-(tert-butoxycarbonyl)-3, 3-dimethyl-4-oxopyrrolidine-2-carboxylic acid | SCHEMBL875307 | MFCD29

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1(C(N(CC1=O)C(=O)OC(C)(C)C)C(=O)O)C
• IUPAC Name: (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
• InChIKey: FRSSMZRTGRGDJR-MRVPVSSYSA-N
• INCHI: 1S/C12H19NO5/c1-11(2,3)18-10(17)13-6-7(14)12(4,5)8(13)9(15)16/h8H,6H2,1-5H3,(H,15,16)/t8-/m1/s1
• Isomeric SMILES: CC1([C@H](N(CC1=O)C(=O)OC(C)(C)C)C(=O)O)C
• PubChem CID: 58682320
• Molecular Weight: 257.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-3-ones Carbamate esters Tertiary amines Cyclic ketones Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - 3-pyrrolidone - Pyrrolidine - Carbamic acid ester - Ketone - Amino acid - Cyclic ketone - Tertiary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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