(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid | SBID = 75 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 86.6
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -0.2
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 3.0
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: 172.5
Sum Formula: C11H13NO4
M / g/mol: 223.228
Complexity: 259.0
Number of Conformers: 10.0

Identifiers

  • Tags: aminoacid derivative, typical guest
  • Name: (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
  • Preferred Abbreviation: N-acetyl-D-tyrosine
  • IUPAC Name: (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
  • CAS: 19764-32-0
  • CID: 853750
  • InChiKey: CAHKINHBCWCHCF-SNVBAGLBSA-N
  • InChi: InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m1/s1
  • CanoSmiles: CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
  • IsoSmiles: CC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O