(2S)-2-(dimethylamino)propanoic acid hydrochloride

• ChemBase ID: 235259
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: C(=O)([C@@H](N(C)C)C)O.Cl
• Canonical SMILES: C[C@@H](C(=O)O)N(C)C.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-4(5(7)8)6(2)3;/h4H,1-3H3,(H,7,8);1H/t4-;/m0./s1
• InChIKey: BBAXRWHVFQQQEC-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(dimethylamino)propanoic acid hydrochloride
• IUPAC Traditional name: N,N-dimethyl-L-alanine hydrochloride
• Synonyms: (2S)-2-(dimethylamino)propanoic acid hydrochloride

Database IDs

• MDL Number: MFCD22056389
• PubChem SID: 164291169
• PubChem CID: 71350321

CALCULATED PROPERTIES

• Acid pKa: 1.9615333
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4928477
• LogD (pH = 7.4): -2.4937205
• Log P: -2.4928033
• Molar Refractivity: 30.5666 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.612

Product Information

• Purity: 95%