N-Z-L-serine methyl ester - ≥95% , CAS No.1676-81-9

CAS: 1676-81-9 Cat. No.: I132671 Molecular Weight: 253.25 EC Number: 605-484-2

GRADE & PURITY ≥95%

Synonyms

A810893 | Z-Ser-OMe | N-Benzyloxycarbonyl-l-serine, methyl ester | N-Z-L-serine methyl ester, 95% | methyl (2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoate | (S)-methyl 2-(benzyloxycarbonylamino)-3-hydroxypropanoate | Cbz-L-Ser-OMe | N-Z-L-serine meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

This protected serine has been employed as a starting material for the Cbz analog of Garner′s aldehyde, 2,3-diaminopropanol, and optically active derivatives of 2-amino-1,3-propanediol.

Specifications

Synonyms

A810893 | Z-Ser-OMe | N-Benzyloxycarbonyl-l-serine, methyl ester | N-Z-L-serine methyl ester, 95% | methyl (2S)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoate | (S)-methyl 2-(benzyloxycarbonylamino)-3-hydroxypropanoate | Cbz-L-Ser-OMe | N-Z-L-serine meth

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488195965
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195965
• Canonical Smiles: COC(=O)C(CO)NC(=O)OCC1=CC=CC=C1
• IUPAC Name: methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
• InChIKey: CINAUOAOVQPWIB-JTQLQIEISA-N
• INCHI: 1S/C12H15NO5/c1-17-11(15)10(7-14)13-12(16)18-8-9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H,13,16)/t10-/m0/s1
• Isomeric SMILES: COC(=O)[C@H](CO)NC(=O)OCC1=CC=CC=C1
• WGK Germany: 3
• Molecular Weight: 253.25
• Reaxy-Rn: 3209070
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3209070&ln=

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 Alpha amino acid esters

• 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: Alpha amino acid esters
• Alternative Parents: Serine and derivatives Benzyloxycarbonyls Beta hydroxy acids and derivatives Methyl esters Carbamate esters Monocarboxylic acids and derivatives Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Serine or derivatives - Benzyloxycarbonyl - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

• Specific Rotation[α]: -15° (C=1,MeOH)
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Melt Point(°C): 37 °C
• Molecular Weight: 253.250 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 253.095 Da
• Monoisotopic Mass: 253.095 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 276.000
• 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