(2S)-2-amino-4-methyl-N-(naphthalen-2-yl)pentanamide

• ChemBase ID: 133230
• Molecular Formular: C16H20N2O
• Molecular Mass: 256.3428
• Monoisotopic Mass: 256.15756327
• SMILES: CC(C)C[C@@H](C(=O)Nc1ccc2ccccc2c1)N
• Canonical SMILES: CC(C[C@@H](C(=O)Nc1ccc2c(c1)cccc2)N)C
• InChI: InChI=1S/C16H20N2O/c1-11(2)9-15(17)16(19)18-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1
• InChIKey: JWHURRLUBVMKOT-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-methyl-N-(naphthalen-2-yl)pentanamide
• IUPAC Traditional name: (2S)-2-amino-4-methyl-N-(naphthalen-2-yl)pentanamide
• Synonyms: L-Leucine-2-naphthylamide; L-Leucine β-naphthylamide

Database IDs

• CAS Number: 732-85-4
• EC Number: 211-990-0
• MDL Number: MFCD00055914
• PubChem SID: 24896286; 162227507
• PubChem CID: 102475

CALCULATED PROPERTIES

• Acid pKa: 13.236425
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5165914
• LogD (pH = 7.4): 2.1758904
• Log P: 3.0991776
• Molar Refractivity: 78.8984 cm^3
• Polarizability: 31.680584 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: insoluble

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40
• Safety Statements: 22-36
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H351
• GHS Precautionary statements: P281
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Storage Temperature: -20°C

DETAILS

Sigma Aldrich - L1635

Application
Substrate for leucine aminopeptidase determination in colorimetric and histochemical procedures.
Quality
Very low free β-naphthylamine.
Substrates
Substrate for aminopeptidase M