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Substance Name: Methyl N-acetyl-D-phenylalaninate
RN: 21156-62-7
UNII: JQT1M79F3N
InChIKey: IKGHIFGXPVLPFD-LLVKDONJSA-N

Molecular Formula

  • C12-H15-N-O3

Molecular Weight

  • 221.2545
 
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Names and Synonyms

Name of Substance

  • Methyl N-acetyl-D-phenylalaninate

Synonyms

  • D-(-)-Methyl N-acetylphenylalaninate
  • D-Phenylalanine, N-acetyl-, methyl ester
  • Methyl (2R)-2-(acetylamino)-3-phenylpropanoate
  • Methyl (R)-2-acetylamino-3-phenylpropanoate
  • Methyl N-acetyl-D-phenylalaninate
  • Methyl N-acetyl-L-phenylalaninate, (-)-
  • UNII-JQT1M79F3N

Registry Numbers

CAS Registry Number

  • 21156-62-7

FDA UNII

  • JQT1M79F3N

System Generated Number

  • 0021156627

Structure Descriptors

InChI

1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m1/s1

InChIKey

IKGHIFGXPVLPFD-LLVKDONJSA-N

Smiles

COC(=O)[C@@H](Cc1ccccc1)NC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.92 (none)   EXP
Water Solubility 5550 mg/L 25 EST
Vapor Pressure 3.40E-06 mm Hg 25 EST
Henry's Law Constant 1.25E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.48E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.