(2S)-2-(tert-butoxycarbonylamino)non-8-enoic acid - ≥97% , CAS No.300831-21-4

CAS: 300831-21-4 Cat. No.: N633555 Peso molecular: 271.35 PubChem CID: 11507316

GRADE & PURITY ≥97%

Synonyms

(S)-2-(TERT-BUTOXYCARBONYLAMINO)NON-8-ENOIC ACID | (S)-2-(tertbutoxycarbonylamino)non-8-enoic acid | 8-Nonenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)- | SCHEMBL330005 | DTXSID40467759 | MFCD03094930 | 8-Nonenoic acid,2-[[(1,1-diMethylethoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(S)-2-(TERT-BUTOXYCARBONYLAMINO)NON-8-ENOIC ACID | (S)-2-(tertbutoxycarbonylamino)non-8-enoic acid | 8-Nonenoic acid, 2-[[(1, 1-dimethylethoxy)carbonyl]amino]-, (2S)- | SCHEMBL330005 | DTXSID40467759 | MFCD03094930 | 8-Nonenoic acid, 2-[[(1, 1-diMethylethoxy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CCCCCC=C)C(=O)O
• IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
• InChIKey: ZVCMWNFQYIQWSY-NSHDSACASA-N
• INCHI: 1S/C14H25NO4/c1-5-6-7-8-9-10-11(12(16)17)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17)/t11-/m0/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCCC=C)C(=O)O
• CAS alternativo: 300831-21-4
• PubChem CID: 11507316
• Peso molecular: 271.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Medium-chain fatty acids Branched fatty acids Amino fatty acids Unsaturated fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 271.350 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 271.178 Da
• Monoisotopic Mass: 271.178 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 307.000
• 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