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2-(1-((Benzyloxy)carbonyl)pyrrolidin-3-yl)acetic acid - 96%, high purity , CAS No.886362-65-8

COA

Grade & Purity:

≥97%

Cas Number: 886362-65-8
Molecular Weight: 263.29
EC Number: ‘675-916-2
PubChem CID: 44828596
PubChem SID: 504770485

In stock

Item Number

B590542

Grouped product items
SKU	Size	Availability	Price
B590542-100mg	100mg	2	$58.90
B590542-250mg	250mg	1	$79.90
B590542-1g	1g	1	$205.90

View related series

carboxylic acid (2098) Pyrrolidines (140)

Basic Description

Synonyms	1-N-Cbz-pyrrolidine-3-aceticacid \| n-cbz-3-pyrrolidine acetic acid \| SCHEMBL4671370 \| AB10991 \| DTXSID20660807 \| EN300-1154184 \| 2-(1-(benzyloxycarbonyl)pyrrolidin-3-yl)acetic acid \| SB48210 \| 1-CBZ-3-PYRROLIDINEACETIC ACID \| 2-(1-((benzyloxy)carbonyl)pyr
Specifications & Purity	≥97%
Storage Temp	Protected from light,Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Pyrrolidine carboxylic acids Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen 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 benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504770485
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770485
IUPAC Name	2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
INCHI	InChI=1S/C14H17NO4/c16-13(17)8-12-6-7-15(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKey	IUYVTLSEDKQGQY-UHFFFAOYSA-N
Smiles	C1CN(CC1CC(=O)O)C(=O)OCC2=CC=CC=C2
Isomeric SMILES	C1CN(CC1CC(=O)O)C(=O)OCC2=CC=CC=C2
PubChem CID	44828596
Molecular Weight	263.29

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
G2417739	Certificate of Analysis	Apr 17, 2024	B590542
G2417740	Certificate of Analysis	Apr 17, 2024	B590542
G2417743	Certificate of Analysis	Apr 17, 2024	B590542
G2417744	Certificate of Analysis	Apr 17, 2024	B590542
G2417754	Certificate of Analysis	Apr 17, 2024	B590542
G2417755	Certificate of Analysis	Apr 17, 2024	B590542

Chemical and Physical Properties

Molecular Weight	263.290 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	263.116 Da
Monoisotopic Mass	263.116 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	325.000
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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