Methyl (βS)-β-(acetylamino)benzenepropanoate

CAS Registry Number®

67654-58-4
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CAS Name

Methyl (βS)-β-(acetylamino)benzenepropanoate

Molecular Formula

C12H15NO3

Molecular Mass

221.25

Cite this Page

Methyl (βS)-β-(acetylamino)benzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67654-58-4 (retrieved 2024-09-07) (CAS RN: 67654-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    99-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H15NO3/c1-9(14)13-11(8-12(15)16-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1

InChIKey

InChIKey=KAZREVDICMUGDL-NSHDSACASA-N

SMILES

[C@@H](CC(OC)=O)(NC(C)=O)C1=CC=CC=C1

Canonical SMILES

O=C(OC)CC(NC(=O)C)C=1C=CC=CC1

Other Names for this Substance

  • Benzenepropanoic acid, β-(acetylamino)-, methyl ester, (βS)-
  • Benzenepropanoic acid, β-(acetylamino)-, methyl ester, (S)-
  • Methyl (βS)-β-(acetylamino)benzenepropanoate
  • (S)-Methyl 3-acetamido-3-phenylpropanoate
  • (S)-3-(Acetylamino)-3-phenylpropanoic acid methyl ester