(S)-tert-Butyl (1-amino-3-methyl-1-oxobutan-2-yl)carbamate - ≥97% , CAS No.35150-08-4

CAS: 35150-08-4 Cat. No.: S192928 Molecular Weight: 216.28 PubChem CID: 11241393

GRADE & PURITY ≥97%

Synonyms

Boc-L-valine amide | SCHEMBL8210446 | tert-Butyl (S)-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate | NZSZYROZOXUFSG-ZETCQYMHSA-N | AM82375 | (S)-tert-Butyl 1-amino-3-methyl-1-oxobutan-2-ylcarbamate | (S)-tert-Butyl(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

Boc-L-valine amide | SCHEMBL8210446 | tert-Butyl (S)-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate | NZSZYROZOXUFSG-ZETCQYMHSA-N | AM82375 | (S)-tert-Butyl 1-amino-3-methyl-1-oxobutan-2-ylcarbamate | (S)-tert-Butyl(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)N)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
• InChIKey: NZSZYROZOXUFSG-ZETCQYMHSA-N
• INCHI: 1S/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14)/t7-/m0/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)N)NC(=O)OC(C)(C)C
• PubChem CID: 11241393
• Molecular Weight: 216.28

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 Valine 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: Valine and derivatives
• Alternative Parents: Fatty amides Carbamate esters Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Valine or derivatives - Fatty acyl - Fatty amide - Carbamic acid ester - Primary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 216.280 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 216.147 Da
• Monoisotopic Mass: 216.147 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 244.000
• 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