2,5-dioxopyrrolidin-1-yl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoate

• ChemBase ID: 287254
• Molecular Formular: C25H26N2O6
• Molecular Mass: 450.48374
• Monoisotopic Mass: 450.17908656
• SMILES: CC(C)C[C@H](NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)ON1C(=O)CCC1=O
• Canonical SMILES: CC(C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCC1c2ccccc2c2c1cccc2)C
• InChI: InChI=1S/C25H26N2O6/c1-15(2)13-21(24(30)33-27-22(28)11-12-23(27)29)26-25(31)32-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-21H,11-14H2,1-2H3,(H,26,31)/t21-/m0/s1
• InChIKey: QOQFIQIYPSPWHZ-NRFANRHFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dioxopyrrolidin-1-yl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoate
• IUPAC Traditional name: 2,5-dioxopyrrolidin-1-yl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoate
• Synonyms: Fmoc-Leu-OSu

Database IDs

• CAS Number: 76542-83-1
• MDL Number: MFCD00065659
• PubChem SID: 180672785
• PubChem CID: 51340597

CALCULATED PROPERTIES

• Acid pKa: 13.343976
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.6690125
• LogD (pH = 7.4): 3.6690123
• Log P: 3.6690125
• Molar Refractivity: 118.8045 cm^3
• Polarizability: 47.704464 Å^3
• Polar Surface Area: 102.01 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%