(3S,6S,8aS)-6-((tert-Butoxycarbonyl)amino)-5-oxooctahydroindolizine-3-carboxylic acid

Base Information

• Chemical Name: (3S,6S,8aS)-6-((tert-Butoxycarbonyl)amino)-5-oxooctahydroindolizine-3-carboxylic acid
• CAS No.: 159303-50-1
• Molecular Formula: C14H22N2O5
• Molecular Weight: 298.339
• DSSTox Substance ID: DTXSID80455559
• Nikkaji Number: J628.675E
• Wikidata: Q82277621
• Mol file: 159303-50-1.mol

Synonyms:159303-50-1;(3S,6S,8aS)-6-((tert-Butoxycarbonyl)amino)-5-oxooctahydroindolizine-3-carboxylic acid;(3S,6S,8aS)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;3-Indolizinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]octahydro-5-oxo-, (3S,6S,8aS)-;DTXSID80455559;(3S,6S,8aS)-6-((tert-Butoxycarbonyl)amino)-5-oxooctahydroindolizine-3-carboxylicacid;CS-0129850;(3S,8aalpha)-5-Oxo-6beta-[(tert-butyloxycarbonyl)amino]octahydroindolizine-3beta-carboxylic acid

Chemical Property of (3S,6S,8aS)-6-((tert-Butoxycarbonyl)amino)-5-oxooctahydroindolizine-3-carboxylic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 298.15287181
• Heavy Atom Count: 21
• Complexity: 457

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CCC2CCC(N2C1=O)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)O