(S)-4-(tert-Butoxycarbonylamino)-2-pentenoic acid ethyl ester

Base Information

• Chemical Name: (S)-4-(tert-Butoxycarbonylamino)-2-pentenoic acid ethyl ester
• CAS No.: 104700-37-0
• Molecular Formula: C₁₂H₂₁NO₄
• Molecular Weight: 243.303
• DSSTox Substance ID: DTXSID201164243
• Nikkaji Number: J1.883.644K,J796.466H

Synonyms:SCHEMBL2546237;HKMBNCHGMXKCTC-FLOXNTQESA-N;DTXSID201164243;Ethyl (2E)-4-[(tert-butoxycarbonyl)amino]-2-pentenoate #;(S)-4-(tert-Butoxycarbonylamino)-2-pentenoic acid ethyl ester;(2E,4S)-4-(tert-Butoxycarbonylamino)-2-pentenoic acid ethyl ester;2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl)amino]-, ethyl ester;Ethyl (2E,4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-pentenoate;104700-37-0

Chemical Property of (S)-4-(tert-Butoxycarbonylamino)-2-pentenoic acid ethyl ester

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 291

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MSDS Files:

Useful:

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

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