(2R)-2-amino-2-(2H5)phenylacetic acid

• ChemBase ID: 176570
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: [C@@H](N)(c1ccccc1)C(=O)O
• Canonical SMILES: N[C@H](c1ccccc1)C(=O)O
• InChI: InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1
• InChIKey: ZGUNAGUHMKGQNY-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-(^2H₅)phenylacetic acid
• IUPAC Traditional name: (R)-amino(^2H₅)phenylacetic acid
• Synonyms: (αR)-α-Amino-benzeneacetic-d5 Acid; D-2-Phenyl-glycine-d5; (-)-(R)-Phenylglycine-d5; (-)-Phenylglycine-d5; (2R)-Amino-2-phenylethanoic-d5 Acid; D-(-)-2-Phenylglycine-d5

Database IDs

• PubChem SID: 164232480
• PubChem CID: 71751620

CALCULATED PROPERTIES

• Acid pKa: 2.2288363
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4721358
• LogD (pH = 7.4): -1.4860865
• Log P: -1.4724004
• Molar Refractivity: 40.3613 cm^3
• Polarizability: 16.066437 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White Solid

DETAILS

Toronto Research Chemicals - P327127

Labelled D-Phenylglycine

REFERENCES

• Armas, J., et al.: Food Technol. Biotechnol., 46, 195 (2008)
• Jensen, S., et al.: J. Med. Chem., 51, 1617 (2008)
• Jager, S., et al.: J. Biotechnol., 133, 18 (2008)