O-Benzyl-L-Serine | SBID = 91 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 72.6
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -2.0
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 154.1
Sum Formula: C10H13NO3
M / g/mol: 195.218
Complexity: 178.0
Number of Conformers: 10.0

Identifiers

  • Tags: aminoacid derivative
  • Name: O-Benzyl-L-Serine
  • Preferred Abbreviation: O-Benzyl-L-Ser
  • IUPAC Name: (2S)-2-amino-3-phenylmethoxypropanoic acid
  • CAS: 4726-96-9
  • CID: 78457
  • InChiKey: IDGQXGPQOGUGIX-VIFPVBQESA-N
  • InChi: InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
  • CanoSmiles: C1=CC=C(C=C1)COCC(C(=O)O)N
  • IsoSmiles: C1=CC=C(C=C1)COC[C@@H](C(=O)O)N