(2S)-2-amino-3,3-dimethylbutanamide hydrochloride

• ChemBase ID: 285110
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)([C@H](C(C)(C)C)N)N.Cl
• Canonical SMILES: N[C@@H](C(C)(C)C)C(=O)N.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-6(2,3)4(7)5(8)9;/h4H,7H2,1-3H3,(H2,8,9);1H/t4-;/m1./s1
• InChIKey: ZTHDYUDIZSIFRY-PGMHMLKASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3,3-dimethylbutanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-3,3-dimethylbutanamide hydrochloride
• Synonyms: (2S)-2-amino-3,3-dimethylbutanamide hydrochloride

Database IDs

• MDL Number: MFCD21602493
• PubChem SID: 180670641
• PubChem CID: 60211447

CALCULATED PROPERTIES

• Acid pKa: 16.683344
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6838527
• LogD (pH = 7.4): -1.0181841
• Log P: -0.12015786
• Molar Refractivity: 35.7132 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259 - 261°C
• Hydrophobicity(logP): -0.235

Product Information

• Purity: 95%