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Z-Pro-OH - 98%, high purity , CAS No.1148-11-4
Basic Description
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%
Shipped In
Normal
Taxonomic Classification
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488187285
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187285
IUPAC Name
(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
INCHI
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
InChIKey
JXGVXCZADZNAMJ-NSHDSACASA-N
Smiles
C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O
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
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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
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