(2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide

• ChemBase ID: 112632
• Molecular Formular: C12H17N3O3
• Molecular Mass: 251.28168
• Monoisotopic Mass: 251.12699142
• SMILES: CC(C)C[C@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CC(C)C
• InChI: InChI=1S/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)/t11-/m0/s1
• InChIKey: AXZJHDNQDSVIDR-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
• IUPAC Traditional name: (2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
• Synonyms: L-LEUCYL-P-NITROANILIDE; L-Leucine-p-nitroanilide; L-Leucine p-nitroanilide Free Base; L-Leucine p-nitroanilide; L-Leucine-4-nitroanilide; L-Leucine-4-nitroanilide; L-亮氨酸-4-硝基苯胺; L-亮氨酸对硝基苯胺; L-亮氨酸对硝基苯胺游离碱; L-亮氨酸-4-硝基苯胺

Database IDs

• CAS Number: 4178-93-2; 62354-43-2
• EC Number: 224-047-3
• MDL Number: MFCD00063681
• Beilstein Number: 2218433
• PubChem SID: 24896516; 162097469
• PubChem CID: 2733285

CALCULATED PROPERTIES

• Acid pKa: 12.397489
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.53288394
• LogD (pH = 7.4): 1.1263684
• Log P: 2.049685
• Molar Refractivity: 68.7687 cm^3
• Polarizability: 25.98061 Å^3
• Polar Surface Area: 98.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-90 °C; 88-90 °C(lit.); 89-90°C
• Optical Rotation: [α]20/D +102±2°, c = 1% in 1 M HCl; [α]20/D +96°, c = 1 in 1 M HCl

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36-43
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H319
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (NT); 99%
• Impurities: ≤0.1% water
• Linear Formula: (CH3)2CHCH2CH(NH2)CONHC6H4NO2
• Empirical Formula (Hill Notation): C12H17N3O3

DETAILS

MP Biomedicals - 05225059

MP Biomedicals Rare Chemical collection

Sigma Aldrich - L9125

包装
1, 5 g in poly bottle
250, 500 mg in poly bottle
Substrates
Substrate for the colorimetric determination of leucine aminopeptidase.

Sigma Aldrich - 61910

Other Notes
Chromogenic substrate for the spectrophotometric assay of aminopeptidase from Aeromonas1; Bacillus stearothermophilus2; pig kidney3; Yeast4
Substrates
Substrate for the colorimetric determination of leucine aminopeptidase.