methyl (2S)-2-(methylamino)propanoate hydrochloride

• ChemBase ID: 246684
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: C(=O)([C@@H](NC)C)OC.Cl
• Canonical SMILES: CN[C@H](C(=O)OC)C.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c1-4(6-2)5(7)8-3;/h4,6H,1-3H3;1H/t4-;/m0./s1
• InChIKey: CYMQHMBRKIJBGI-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2S)-2-(methylamino)propanoate hydrochloride
• IUPAC Traditional name: methyl (2S)-2-(methylamino)propanoate hydrochloride
• Synonyms: methyl (2S)-2-(methylamino)propanoate hydrochloride

Database IDs

• MDL Number: MFCD04973252
• PubChem SID: 164302594
• PubChem CID: 13850987

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0848235
• LogD (pH = 7.4): -0.057623435
• Log P: -2.36865E-4
• Molar Refractivity: 30.041 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.098

Product Information

• Purity: 95%