2-amino-4-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide hydrochloride

• ChemBase ID: 106016
• Molecular Formular: C16H21ClN2O3
• Molecular Mass: 324.80254
• Monoisotopic Mass: 324.12407022
• SMILES: Cl.CC(C)CC(N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
• Canonical SMILES: CC(CC(C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N)C.Cl
• InChI: InChI=1S/C16H20N2O3.ClH/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11;/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20);1H
• InChIKey: VCRXITKKWBOQRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide hydrochloride
• IUPAC Traditional name: 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide hydrochloride
• Synonyms: AMINOPEPTIDASE SUBSTRATE I HYDROCHLORIDE

Database IDs

• CAS Number: 62480-44-8
• PubChem SID: 162092882
• PubChem CID: 44134536

CALCULATED PROPERTIES

• Acid pKa: 13.047167
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.36337495
• LogD (pH = 7.4): 1.2959193
• Log P: 2.2192092
• Molar Refractivity: 82.2208 cm^3
• Polarizability: 31.310612 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 02195885

H-Leu-AMC
Hydrochloride
Aminopeptidase fluorogenic substrate.
Purity: >99%