1-Acetyl-2-isobutyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 1-Acetyl-2-isobutyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid
• CAS No.: 203051-17-6
• Molecular Formula: C11H17 N O3
• Molecular Weight: 211.26
• DSSTox Substance ID: DTXSID90420076
• Mol file: 203051-17-6.mol

Synonyms:UPCMLD08ADHK001009;203051-17-6;1-Acetyl-2-isobutyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid;NCGC00092173-01;DTXSID90420076;CMLD4_000378;SDCCGMLS-0091349.P001

Chemical Property of 1-Acetyl-2-isobutyl-2,5-dihydro-1H-pyrrole-2-carboxylic acid

Chemical Property:

• PSA: 57.61000
• LogP: 1.21210
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 211.12084340
• Heavy Atom Count: 15
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1(C=CCN1C(=O)C)C(=O)O