1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

• ChemBase ID: 294394
• Molecular Formular: C20H19NO4
• Molecular Mass: 337.36916
• Monoisotopic Mass: 337.13140809
• SMILES: c1c2C(c3ccccc3c2ccc1)COC(=O)N1C(CCC1)C(=O)O
• Canonical SMILES: OC(=O)C1CCCN1C(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)
• InChIKey: ZPGDWQNBZYOZTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid
• IUPAC Traditional name: 1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid
• Synonyms: Fmoc-Pro-OH

Database IDs

• CAS Number: 71989-31-6
• MDL Number: MFCD00037122
• PubChem SID: 180679925
• PubChem CID: 100106

CALCULATED PROPERTIES

• Acid pKa: 3.754516
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5718478
• LogD (pH = 7.4): 0.03530121
• Log P: 3.3179827
• Molar Refractivity: 92.2662 cm^3
• Polarizability: 36.9484 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%