(βS)-β-Amino-3-cyanobenzenepropanoic acid

CAS Registry Number®

791778-00-2
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CAS Name

(βS)-β-Amino-3-cyanobenzenepropanoic acid

Molecular Formula

C10H10N2O2

Molecular Mass

190.20

Cite this Page

(βS)-β-Amino-3-cyanobenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=791778-00-2 (retrieved 2024-07-28) (CAS RN: 791778-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H10N2O2/c11-6-7-2-1-3-8(4-7)9(12)5-10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1

InChIKey

InChIKey=RRUDIPCLABXNDE-VIFPVBQESA-N

SMILES

[C@@H](CC(O)=O)(N)C1=CC(C#N)=CC=C1

Canonical SMILES

N#CC1=CC=CC(=C1)C(N)CC(=O)O

Other Names for this Substance

  • Benzenepropanoic acid, β-amino-3-cyano-, (βS)-
  • (βS)-β-Amino-3-cyanobenzenepropanoic acid
  • (S)-3-Amino-3-(3-cyanophenyl)propanoic acid
  • (S)-3-Amino-3-(3-cyanophenyl)propanoicacid