acetylphenylalaninate | SBID = 777 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -1.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C11H12NO3-
M / g/mol: 206.21788
Complexity:
Number of Conformers:

Identifiers

  • Tags: aminoacid derivative, charged
  • Name: acetylphenylalaninate
  • Preferred Abbreviation: acetylphenylalaninate
  • IUPAC Name:
  • CAS:
  • CID: -224
  • InChiKey: CBQJSKKFNMDLON-UHFFFAOYSA-M
  • InChi: InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1
  • CanoSmiles: [O-]C(=O)C(Cc1ccccc1)NC(=O)C
  • IsoSmiles: [O-]C(C(NC(C)=O)CC1=CC=CC=C1)=O