N-[1-Oxo-2-(phenylmethyl)-2-propenyl]glycine Ethyl Ester - CAS 660848-81-7
Catalog: |
BB056711 |
Product Name: |
N-[1-Oxo-2-(phenylmethyl)-2-propenyl]glycine Ethyl Ester |
CAS: |
660848-81-7 |
Synonyms: |
[(2-Methylene-1-oxo-3-phenylpropyl)amino]acetic Acid Ethyl Ester |
IUPAC Name: | ethyl 2-(2-benzylprop-2-enoylamino)acetate |
Description: | N-[1-Oxo-2-(phenylmethyl)-2-propenyl]glycine Ethyl Ester is an intermediate in the synthesis of Racecadotril (R070600) related compounds with antidiarrheal properties. |
Molecular Weight: | 247.29 |
Molecular Formula: | C14H17NO3 |
Canonical SMILES: | CCOC(=O)CNC(=O)C(=C)CC1=CC=CC=C1 |
InChI: | InChI=1S/C14H17NO3/c1-3-18-13(16)10-15-14(17)11(2)9-12-7-5-4-6-8-12/h4-8H,2-3,9-10H2,1H3,(H,15,17) |
InChI Key: | OZIZCHQRGCUHCF-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | White Solid |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.1208434 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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