Z-Pro-OH - ≥98% , CAS No.1148-11-4

CAS: 1148-11-4 Cat. No.: Z105461 Fórmula: C₁₃H₁₅NO₄ Peso molecular: 249.26 Beilstein Registry Number: 88579 Número CE: 214-557-4 PubChem CID: 101987

GRADE & PURITY ≥98%

Synonyms

1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, L- | 1-Benzyloxycarbonyl-L-proline | CBZ-L-PRO-OH | MFCD00003170 | N-(BENZYLOXYCARBONYL)-(S)-PROLINE | N-[(phenyl-methoxy)carbonyl]-L-proline | N-Carbobenzoxy-L-proline | N-carbobenzoxyproline | 1-Carboben

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, L- | 1-Benzyloxycarbonyl-L-proline | CBZ-L-PRO-OH | MFCD00003170 | N-(BENZYLOXYCARBONYL)-(S)-PROLINE | N-[(phenyl-methoxy)carbonyl]-L-proline | N-Carbobenzoxy-L-proline | N-carbobenzoxyproline | 1-Carboben

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488187285

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187285

Sorrisos canónicos

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

IUPAC Name

(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

InChIKey

JXGVXCZADZNAMJ-NSHDSACASA-N

INCHI

1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1

SMILES isoméricas

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

WGK Alemanha

3

RTECS

UY0745000

PubChem CID

101987

Peso molecular

249.26

Beilstein

88579

Reaxy-Rn

88579

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
            • Level7 Proline 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 - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Benzyloxycarbonyls Pyrrolidine carboxylic acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: 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

Alvos associados (não humanos)

Ehrlich (1318 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Rotação específica [α]: -40 ° (C=2, EtOH)
• Ponto de fusão (°C): 75-77°C
• Peso molecular: 249.260 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 249.1 Da
• Monoisotopic Mass: 249.1 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 312.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1148-11-4, the molecular formula is C13H15NO4, and the molecular weight is 249.26 g/mol. InChIKey JXGVXCZADZNAMJ-NSHDSACASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.