(2S)-2-amino-N,4-dimethylpentanamide

• ChemBase ID: 278954
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)([C@H](CC(C)C)N)NC
• Canonical SMILES: CNC(=O)[C@H](CC(C)C)N
• InChI: InChI=1S/C7H16N2O/c1-5(2)4-6(8)7(10)9-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-/m0/s1
• InChIKey: LIBDTAYIDBPBRN-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N,4-dimethylpentanamide
• IUPAC Traditional name: (2S)-2-amino-N,4-dimethylpentanamide
• Synonyms: (2S)-2-amino-N,4-dimethylpentanamide

Database IDs

• MDL Number: MFCD14696986
• PubChem SID: 164334864
• PubChem CID: 11672684

CALCULATED PROPERTIES

• Acid pKa: 16.288502
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5873861
• LogD (pH = 7.4): -0.97481704
• Log P: 0.09213229
• Molar Refractivity: 40.8898 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.161

Product Information

• Purity: 95%