(2S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid - ≥97% , CAS No.951789-86-9

CAS: 951789-86-9 Cat. No.: A635310 Molecular Weight: 271.35 PubChem CID: 57785383

GRADE & PURITY ≥97%

Synonyms

951789-86-9 | (S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid | (2S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid | SCHEMBL583877 | E88251 | (2S)-N-(tert-Butoxycarbonyl)-2-(1-methylcyclohexyl)glycine | (S)-tert-Butox

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

951789-86-9 | (S)-2-((tert-butoxycarbonyl)amino)-2-(1-methylcyclohexyl)acetic acid | (2S)-2-(tert-butoxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid | SCHEMBL583877 | E88251 | (2S)-N-(tert-Butoxycarbonyl)-2-(1-methylcyclohexyl)glycine | (S)-tert-Butox

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1(CCCCC1)C(C(=O)O)NC(=O)OC(C)(C)C
• IUPAC Name: (2S)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
• InChIKey: PLAQGKKUVFMRFR-SNVBAGLBSA-N
• INCHI: 1S/C14H25NO4/c1-13(2,3)19-12(18)15-10(11(16)17)14(4)8-6-5-7-9-14/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)/t10-/m1/s1
• Isomeric SMILES: CC1(CCCCC1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C
• PubChem CID: 57785383
• Molecular Weight: 271.35

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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Carbamic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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