D-phenylalanine amide | SBID = 1004 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 69.1
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.1
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 133.2
Sum Formula: C9H12N2O
M / g/mol: 164.2
Complexity: 153.0
Number of Conformers: 10.0

Identifiers

  • Tags: aminoacid derivative
  • Name: D-phenylalanine amide
  • Preferred Abbreviation: D-phenylalanine amide
  • IUPAC Name: (2R)-2-amino-3-phenylpropanamide
  • CAS: 5241-59-8
  • CID: 7000171
  • InChiKey: OBSIQMZKFXFYLV-MRVPVSSYSA-N
  • InChi: InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1
  • CanoSmiles: C1=CC=C(C=C1)CC(C(=O)N)N
  • IsoSmiles: C1=CC=C(C=C1)C[C@H](C(=O)N)N