acetylphenylalanine | SBID = 2545 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 66.4
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.01
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C11H13NO3
M / g/mol: 207.22582
Complexity:
Number of Conformers:

Identifiers

  • Tags: amino acid
  • Name: acetylphenylalanine
  • Preferred Abbreviation: acetylphenylalanine
  • IUPAC Name:
  • CAS:
  • CID: -1109
  • InChiKey: CBQJSKKFNMDLON-UHFFFAOYSA-N
  • 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)
  • CanoSmiles: OC(=O)C(Cc1ccccc1)NC(=O)C
  • IsoSmiles: O=C(O)C(NC(C)=O)CC1=CC=CC=C1