ethyl (2R)-2-aminopropanoate hydrochloride

• ChemBase ID: 289331
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: N[C@H](C)C(=O)OCC.Cl
• Canonical SMILES: CCOC(=O)[C@H](N)C.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1
• InChIKey: JCXLZWMDXJFOOI-PGMHMLKASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2R)-2-aminopropanoate hydrochloride
• IUPAC Traditional name: ethyl (2R)-2-aminopropanoate hydrochloride
• Synonyms: D-Alanine ethyl ester hydrochloride

Database IDs

• CAS Number: 6331-09-5
• MDL Number: MFCD00190725
• PubChem SID: 180674862
• PubChem CID: 10236019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8947291
• LogD (pH = 7.4): -0.34745887
• Log P: -0.0760093
• Molar Refractivity: 30.015 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%