Propan-2-yl 3-acetamidobut-2-enoate

1. Names and Identifiers

1.2 Synonyms: (E)-isopropyl 3-acetamido-2-butenoate; 2-Butenoic acid, 3-(acetylamino)-, 1-methylethyl ester, (2E)-; 2-Butenoic acid,3-(acetylamino)-,1-methylethyl ester,(2E); CTK0I7303; DTXSID30723871;

1.6 Inchi: InChI=1S/C9H15NO3/c1-6(2)13-9(12)5-7(3)10-8(4)11/h5-6H,1-4H3,(H,10,11)

2. Synthesis Route

245727-70-2Total: 4 Synthesis Route

542-08-5 80 Suppliers

245727-70-2

245727-71-3

245727-70-2

3. Precursor and Product

precursor:

14205-46-0

245727-71-3

542-08-5

4. Computed Properties

Molecular Weight：185.22g/mol
Molecular Formula：C₉H₁₅NO₃
Compound Is Canonicalized：True
Exact Mass：1.3
XLogP3-AA：185.10519334
Monoisotopic Mass：185.10519334
Complexity：231
Rotatable Bond Count：4
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：55.4
Heavy Atom Count：：13
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：1
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACByhgAICCALABACIACXSWAAAAAAAAgAACAAAAEAABAAAIQACEAAAFACAIUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation

1. Names and Identifiers