Boc-D-aspartic acid alpha-amide - ≥97% , CAS No.200282-47-9

CAS: 200282-47-9 Cat. No.: B356229 Molecular Weight: 232.23 PubChem CID: 7015789

GRADE & PURITY ≥97%

Synonyms

Butanoic acid,4-amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, (3R)- | MFCD00151866 | Boc-D-aspartic acid alpha-amide | (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoic acid | SCHEMBL11596489 | (R)-4-Amino-3-((tert-butoxycarbonyl)amino)-4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Butanoic acid, 4-amino-3-[[(1, 1-dimethylethoxy)carbonyl]amino]-4-oxo-, (3R)- | MFCD00151866 | Boc-D-aspartic acid alpha-amide | (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoic acid | SCHEMBL11596489 | (R)-4-Amino-3-((tert-butoxycarbonyl)amino)-4

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196048
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196048
• Canonical Smiles: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)N
• IUPAC Name: (3R)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
• InChIKey: VKCARTLEXJLJBZ-RXMQYKEDSA-N
• INCHI: 1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(10)14)4-6(12)13/h5H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13)/t5-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=O)N
• PubChem CID: 7015789
• Molecular Weight: 232.23

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

• Molecular Weight: 232.230 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 232.106 Da
• Monoisotopic Mass: 232.106 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 295.000
• 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