Name: Name:1-Butyl-5-oxopyrrolidine-3-carboxylic acid
Brand: AABLOCKS
SKU: AA00DIU3
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00DIU3

Chemical Name: 1-Butyl-5-oxopyrrolidine-3-carboxylic acid

CAS Number: 43094-86-6

Molecular Formula: C9H15NO3

Molecular Weight: 185.2203

MDL Number: MFCD04989720

SMILES: CCCCN1CC(CC1=O)C(=O)O

Properties

Storage: Room Temperature;

Complexity: 215

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: 0.2

Downstream Synthesis Route

97-65-4

109-73-9

43094-86-6

[1]Imamura,Shinichi;Ishihara,Yuji;Hattori,Taeko;Kurasawa,Osamu;Matsushita,Yoshihiro;Sugihara,Yoshihiro;Kanzaki,Naoyuki;Iizawa,Yuji;Baba,Masanori;Hashiguchi,Shohei[ChemicalandPharmaceuticalBulletin,2004,vol.52,#1,p.63-73]

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1180513,2002,A1Locationinpatent:Referentialexample46

[3]CurrentPatentAssignee:MERCK&COINC;LIGANDPHARMACEUTICALSINC-WO2005/14540,2005,A1Locationinpatent:Page/Pagecolumn28

[4]Phae-nok,Supasorn;Pohmakotr,Manat;Kuhakarn,Chutima;Reutrakul,Vichai;Soorukram,Darunee[EuropeanJournalofOrganicChemistry,2019,vol.2019,#29,p.4710-4720]

43094-86-6 | 1-Butyl-5-oxopyrrolidine-3-carboxylic acid