N-Carbobenzoxy-L-pyroglutamic Acid - ≥98% , CAS No.32159-21-0

CAS: 32159-21-0 Cat. No.: P111011 Molecular Weight: 263.25 EC Number: 250-936-0

GRADE & PURITY ≥98%

Synonyms

(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid | AKOS015924203 | SCHEMBL3845188 | AKOS015888232 | Z-PYR-OH | Cbz-L-pyroglutamic acid | Q-101744 | 1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate | (S)-1-(benzyloxycarbonyl)-5-oxopyrrol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid | AKOS015924203 | SCHEMBL3845188 | AKOS015888232 | Z-PYR-OH | Cbz-L-pyroglutamic acid | Q-101744 | 1-Benzyl hydrogen 5-oxopyrrolidine-1, 2-dicarboxylate | (S)-1-(benzyloxycarbonyl)-5-oxopyrrol

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190854
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190854
• Canonical Smiles: C1CC(=O)N(C1C(=O)O)C(=O)OCC2=CC=CC=C2
• IUPAC Name: (2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
• InChIKey: VHSFUGXCSGOKJX-JTQLQIEISA-N
• INCHI: 1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m0/s1
• Isomeric SMILES: C1CC(=O)N([C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 263.25
• Reaxy-Rn: 419902
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=419902&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 Proline 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: Proline and derivatives
• Alternative Parents: Benzyloxycarbonyls Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-2-ones Carbamate esters Dicarboximides Organic carbonic acids and derivatives Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Benzyloxycarbonyl - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Lactam - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline 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: Heat Sensitive
• Specific Rotation[α]: -35° (C=1,MeOH)
• Melt Point(°C): 141 °C
• Molecular Weight: 263.250 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 263.079 Da
• Monoisotopic Mass: 263.079 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 375.000
• 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