Z-Pro-OH - ≥98% , CAS No.1148-11-4

CAS: 1148-11-4 Cat. No.: Z105461 Molecular Weight: 249.26 Beilstein Registry Number: 88579 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187285
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187285
• Canonical Smiles: 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
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O
• WGK Germany: 3
• RTECS: UY0745000
• PubChem CID: 101987
• Molecular Weight: 249.26
• Beilstein: 88579
• Reaxy-Rn: 88579

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 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
• 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

Associated Targets(non-human)

Ehrlich (1318 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -40 ° (C=2, EtOH)
• Melt Point(°C): 75-77°C
• Molecular Weight: 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