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1-tert-butoxycarbonyl-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid - 97%, high purity , CAS No.1056623-91-6

COA

Grade & Purity:

≥97%

Cas Number: 1056623-91-6
Molecular Weight: 245.27
EC Number: 865-073-0
PubChem CID: 57685743

In stock

Item Number

T626690

Grouped product items
SKU	Size	Availability	Price
T626690-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$498.90
T626690-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,496.90
T626690-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,596.90

Basic Description

Synonyms	1-Boc-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid \| CS-0310100 \| 1056623-91-6 \| 1-t-Butoxycarbonyl-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid \| 1-[(tert-butoxy)carbonyl]-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid \| 1-Tert-butoxycarbonyl-3-(hydr
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine carboxylic acids
Alternative Parents	Beta hydroxy acids and derivatives Carbamate esters Tertiary amines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine carboxylic acid - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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

IUPAC Name	3-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
INCHI	InChI=1S/C11H19NO5/c1-10(2,3)17-9(16)12-5-4-11(6-12,7-13)8(14)15/h13H,4-7H2,1-3H3,(H,14,15)
InChIKey	LYKXBIYDPYTDKO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(C1)(CO)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC(C1)(CO)C(=O)O
Alternate CAS	1056623-91-6
PubChem CID	57685743
Molecular Weight	245.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.270 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	245.126 Da
Monoisotopic Mass	245.126 Da
Topological Polar Surface Area	87.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	322.000
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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