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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Benzyl-5-oxopyrrolidine-3-carboxylic Acid - ≥98% , CAS No.5733-86-8
Synonyms
Enamine_004282 | SCHEMBL1902358 | STK069586 | 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)- | EN300-04425 | MLS000062741 | Oprea1_439103 | 3-Pyrrolidinecarboxylic acid, 1-benzyl-5-oxo- | 5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid | 5-oxo1
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Enamine_004282 | SCHEMBL1902358 | STK069586 | 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)- | EN300-04425 | MLS000062741 | Oprea1_439103 | 3-Pyrrolidinecarboxylic acid, 1-benzyl-5-oxo- | 5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid | 5-oxo1
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488187161 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488187161 Canonical Smiles C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)O IUPAC Name 1-benzyl-5-oxopyrrolidine-3-carboxylic acid InChIKey VYKQDWPBYULGPF-UHFFFAOYSA-N INCHI 1S/C12H13NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16) Isomeric SMILES C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)O Molecular Weight 219.24 Reaxy-Rn 189394 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=189394&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyrrolidines Subclass Pyrrolidones Intermediate Tree Nodes Not available Direct Parent Oxoprolines Alternative Parents Pyrrolidine carboxylic acids Pyrrolidine-2-ones N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as oxoprolines. These are compounds containing an oxoproline moiety, which consists of a pyrrolidine ring bearing a carboxylic acid group at the ring position 2, and a ketone group. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 144 °C Molecular Weight 219.240 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 219.09 Da Monoisotopic Mass 219.09 Da Topological Polar Surface Area 57.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 284.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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