2-(2,5-dioxopyrrolidin-1-yl) 1-(9H-fluoren-9-ylmethyl) (2S)-pyrrolidine-1,2-dicarboxylate

• ChemBase ID: 287256
• Molecular Formular: C24H22N2O6
• Molecular Mass: 434.44128
• Monoisotopic Mass: 434.14778643
• SMILES: O=C1CCC(=O)N1OC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2c2ccccc12
• Canonical SMILES: O=C([C@@H]1CCCN1C(=O)OCC1c2ccccc2c2c1cccc2)ON1C(=O)CCC1=O
• InChI: InChI=1S/C24H22N2O6/c27-21-11-12-22(28)26(21)32-23(29)20-10-5-13-25(20)24(30)31-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19-20H,5,10-14H2/t20-/m0/s1
• InChIKey: JZBHVBQPWXZALQ-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxopyrrolidin-1-yl) 1-(9H-fluoren-9-ylmethyl) (2S)-pyrrolidine-1,2-dicarboxylate
• IUPAC Traditional name: 2-(2,5-dioxopyrrolidin-1-yl) 1-(9H-fluoren-9-ylmethyl) (2S)-pyrrolidine-1,2-dicarboxylate
• Synonyms: Fmoc-Pro-OSu

Database IDs

• CAS Number: 109074-94-4
• MDL Number: MFCD00065673
• PubChem SID: 180672787
• PubChem CID: 51340599

CALCULATED PROPERTIES

• Acid pKa: 17.228106
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.687568
• LogD (pH = 7.4): 2.687568
• Log P: 2.687568
• Molar Refractivity: 112.82 cm^3
• Polarizability: 45.14397 Å^3
• Polar Surface Area: 93.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%