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

• ChemBase ID: 135389
• Molecular Formular: C8H9NO2
• Molecular Mass: 152.1559689
• Monoisotopic Mass: 152.06036343
• SMILES: c1ccc(cc1)[C@H](C(=O)O)[15NH2]
• Canonical SMILES: [15NH2][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/i9+1
• InChIKey: ZGUNAGUHMKGQNY-JEUFFZKHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-phenylacetic acid
• IUPAC Traditional name: D-α-phenylglycine
• Synonyms: D-Phenylglycine-15N; D-苯甘氨酸-15N

Database IDs

• MDL Number: MFCD04118238
• PubChem SID: 162229663
• PubChem CID: 58618388

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: 16.044256 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 302 °C (dec.)
• Mass Shift: M+1

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 152.15 by atom % calculation
• Linear Formula: C6H5CH(15NH2)CO2H

DETAILS

Sigma Aldrich - 609188

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.