Boc-L-alpha-methylserine , CAS No.84311-19-3

CAS: 84311-19-3 Cat. No.: B356636 Formula: C₉H₁₇NO₅ Peso molecolare: 219.24

Synonyms

N-(Boc)-alpha-methylserine | OKANIN 4'-O-.BETA.-D-GLUCOPYRANOSIDE | N-(Boc)-a-methylserine | BOC-D-ALPHA-METHYLSERINE | A inverted exclamation mark-methyl-L-Ser | F15068 | MFCD02682593 | DTXSID501004616 | FWRXDSRYWWYTPD-VIFPVBQESA-N | (S)-2-((tert-Butoxyc

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

N-(Boc)-alpha-methylserine | OKANIN 4'-O-.BETA.-D-GLUCOPYRANOSIDE | N-(Boc)-a-methylserine | BOC-D-ALPHA-METHYLSERINE | A inverted exclamation mark-methyl-L-Ser | F15068 | MFCD02682593 | DTXSID501004616 | FWRXDSRYWWYTPD-VIFPVBQESA-N | (S)-2-((tert-Butoxyc

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

CC(C)(C)OC(=O)NC(C)(CO)C(=O)O

IUPAC Name

(2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

InChIKey

FWRXDSRYWWYTPD-VIFPVBQESA-N

INCHI

1S/C9H17NO5/c1-8(2,3)15-7(14)10-9(4,5-11)6(12)13/h11H,5H2,1-4H3,(H,10,14)(H,12,13)/t9-/m0/s1

Isomeri SMILES

C[C@](CO)(C(=O)O)NC(=O)OC(C)(C)C

Peso molecolare

219.24

Reaxy-Rn

15569031

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15569031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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: Beta hydroxy acids and derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 219.230 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 219.111 Da
• Monoisotopic Mass: 219.111 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 258.000
• 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