1-tert-butyl 4-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}butanedioate

Base Information

• Chemical Name: 1-tert-butyl 4-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}butanedioate
• CAS No.: 34582-31-5
• Molecular Formula: C14H25NO6
• Molecular Weight: 303.356
• DSSTox Substance ID: DTXSID501143935
• Nikkaji Number: J2.472.954K
• Mol file: 34582-31-5.mol

Synonyms:34582-31-5;1-tert-butyl 4-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}butanedioate;SCHEMBL24313584;DTXSID501143935;1-tert-butyl4-methyl(2S)-2-{[(tert-butoxy)carbonyl]amino}butanedioate;(2S)-2-(tert-Butyloxycarbonylamino)butanedioic acid 1-tert-butyl 4-methyl ester;1-(1,1-Dimethylethyl) 4-methyl N-[(1,1-dimethylethoxy)carbonyl]-L-aspartate

Chemical Property of 1-tert-butyl 4-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}butanedioate

Chemical Property:

• Melting Point: 52-54 °C
• Boiling Point: 389.0±32.0 °C(Predicted)
• PSA: 90.93000
• Density: 1.085±0.06 g/cm3(Predicted)
• LogP: 2.17540
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 303.16818752
• Heavy Atom Count: 21
• Complexity: 391

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(CC(=O)OC)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC(C)(C)OC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C