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(2S)-3-methyl-2-(pyrrolidin-1-yl)butanoic acid - 97%, high purity , CAS No.777839-82-4

COA

Grade & Purity:

≥97%

Cas Number: 777839-82-4
Molecular Weight: 171.24
MDL number: MFCD20656283
PubChem CID: 42299131

In stock

Item Number

M634526

Grouped product items
SKU	Size	Availability	Price
M634526-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$333.90
M634526-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,001.90
M634526-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,737.90

Basic Description

Synonyms	(S)-3-Methyl-2-(1-pyrrolidinyl)butyric Acid \| 777839-82-4 \| (2S)-3-METHYL-2-(PYRROLIDIN-1-YL)BUTANOIC ACID \| (2S)-3-methyl-2-pyrrolidin-1-ylbutanoic acid \| MFCD20656283 \| SCHEMBL4940630 \| AC6809 \| BS-42985 \| CS-0183515 \| (S)-3-Methyl-2-(1-pyrrolidinyl)but
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Valine and derivatives

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	Valine and derivatives
Alternative Parents	L-alpha-amino acids Methyl-branched fatty acids Heterocyclic fatty acids N-alkylpyrrolidines Quaternary ammonium salts Trialkylamines Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Valine or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - N-alkylpyrrolidine - Fatty acid - Fatty acyl - Quaternary ammonium salt - Pyrrolidine - Carboxylic acid salt - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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	(2S)-3-methyl-2-pyrrolidin-1-ylbutanoic acid
INCHI	InChI=1S/C9H17NO2/c1-7(2)8(9(11)12)10-5-3-4-6-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKey	XXAWWQYJXDAKIM-QMMMGPOBSA-N
Smiles	CC(C)C(C(=O)O)N1CCCC1
Isomeric SMILES	CC(C)[C@@H](C(=O)O)N1CCCC1
PubChem CID	42299131
Molecular Weight	171.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	171.240 g/mol
XLogP3	-0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	171.126 Da
Monoisotopic Mass	171.126 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	162.000
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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