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· · COA & SDS available for every product · Same-day shipping on in-stock items (3S,3aS,6aR)-2-tert-butoxycarbonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid - ≥97% , CAS No.597569-42-1
Synonyms
597569-42-1 | (1S,3aR,6aS)-2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid | HEXAHYDRO-CYCLOPENTA[C]PYRROLE-1,2-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER | (3S,3aS,6aR)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cycl
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Why this grade ≥97% 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
597569-42-1 | (1S, 3aR, 6aS)-2-(tert-Butoxycarbonyl)octahydrocyclopenta[c]pyrrole-1-carboxylic acid | HEXAHYDRO-CYCLOPENTA[C]PYRROLE-1, 2-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER | (3S, 3aS, 6aR)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3, 3a, 4, 5, 6, 6a-hexahydro-1H-cycl
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)(C)OC(=O)N1CC2CCCC2C1C(=O)O IUPAC Name (3S,3aS,6aR)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid InChIKey SFBZDQKMJLUZQF-GUBZILKMSA-N INCHI 1S/C13H21NO4/c1-13(2,3)18-12(17)14-7-8-5-4-6-9(8)10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9-,10-/m0/s1 Isomeric SMILES CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O PubChem CID 16244075 Molecular Weight 255.31
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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbohydrates and carbohydrate conjugates Intermediate Tree Nodes Sugar acids and derivatives - Sugar amino acids and derivatives Direct Parent Bicyclic amino acids and derivatives Alternative Parents Alpha amino acids and derivatives Pyrrolidine carboxylic acids Heterocyclic fatty acids Branched fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic heteropolycyclic compounds Substituents Bicyclic amino acid - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Carbamic acid ester - Pyrrolidine - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as bicyclic amino acids and derivatives. These are sugar amino acids in which the amino acid is attached to or partly borne within a bicyclic ring system. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 255.310 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 255.147 Da Monoisotopic Mass 255.147 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 360.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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