ethyl 2-amino-2-phenylacetate hydrochloride

• ChemBase ID: 83995
• Molecular Formular: C10H14ClNO2
• Molecular Mass: 215.67666
• Monoisotopic Mass: 215.07130637
• SMILES: O=C(C(c1ccccc1)N)OCC.Cl
• Canonical SMILES: CCOC(=O)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H
• InChIKey: FNNXQLSKQSVNLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-2-phenylacetate hydrochloride
• IUPAC Traditional name: ethyl 2-amino-2-phenylacetate hydrochloride
• Synonyms: Ethyl 2-amino-2-phenylacetate hydrochloride; DL-Phenylglycine ethyl ester hydrochloride; Ethyl Phenylglycinate Hydrochloride; DL-Phenylglycine Ethyl Ester Hydrochloride; α-Amino-benzeneacetic Acid Ethyl Ester Hydrochloride; NSC 24595; Phenylglycine Ethyl Ester Hydrochloride

Database IDs

• CAS Number: 879-48-1
• MDL Number: MFCD00114583
• PubChem SID: 162071111
• PubChem CID: 2781252

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.07405288
• LogD (pH = 7.4): 1.2131984
• Log P: 1.2916559
• Molar Refractivity: 49.879 cm^3
• Polarizability: 19.97876 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Solid

Safety Information

• Storage Warning: Irritant

DETAILS

Toronto Research Chemicals - P327230

Substituted Glycine derivative.

REFERENCES

• Veera N., et al.: Eur. J. Med. Chem., 45, 1828 (2010)