N-Benzyl-2-ethyl-2-phenylglycine Ethyl Ester - CAS 1330183-23-7
Catalog: |
BB073679 |
Product Name: |
N-Benzyl-2-ethyl-2-phenylglycine Ethyl Ester |
CAS: |
1330183-23-7 |
Synonyms: |
2-Amino-N-benzyl-2-phenyl-butyric Acid Ethyl Ester; 2-Amino-N-benzyl-2-phenylbutanoic Acid Ethyl Ester; α-Amino-N-benzyl-α-ethyl-benzeneacetic Acid Ethyl Ester; α-Ethyl-α-[(phenylmethyl)amino]benzeneacetic Acid Ethyl Ester |
IUPAC Name: | ethyl (2S)-2-(benzylamino)-2-phenylbutanoate |
Description: | Intermediate in the preparation of Trimebutine metabolites. |
Molecular Weight: | 297.39 |
Molecular Formula: | C19H23NO2 |
Canonical SMILES: | CCC(C1=CC=CC=C1)(C(=O)OCC)NCC2=CC=CC=C2 |
InChI: | InChI=1S/C19H23NO2/c1-3-19(18(21)22-4-2,17-13-9-6-10-14-17)20-15-16-11-7-5-8-12-16/h5-14,20H,3-4,15H2,1-2H3/t19-/m0/s1 |
InChI Key: | YETKYCLVMZREBS-IBGZPJMESA-N |
Solubility: | Dichloromethane |
Appearance: | Yellow Oil |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.172878976 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.172878976 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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