4-[(9H-fluoren-9-ylmethoxy)carbonyl]morpholine-2-carboxylic acid

• ChemBase ID: 53432
• Molecular Formular: C20H19NO5
• Molecular Mass: 353.36856
• Monoisotopic Mass: 353.12632271
• SMILES: N1(C(=O)OCC2c3c(c4c2cccc4)cccc3)CC(C(=O)O)OCC1
• Canonical SMILES: OC(=O)C1OCCN(C1)C(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H19NO5/c22-19(23)18-11-21(9-10-25-18)20(24)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,23)
• InChIKey: TUZVFPRISNDQLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(9H-fluoren-9-ylmethoxy)carbonyl]morpholine-2-carboxylic acid
• IUPAC Traditional name: 4-[(9H-fluoren-9-ylmethoxy)carbonyl]morpholine-2-carboxylic acid
• Synonyms: 4-[(9H-Fluoren-9-ylmethoxy)carbonyl]morpholine-2-carboxylic acid; 4-[(9H-Fluoren-9-yl)methoxycarbonyl]morpholine-2-carboxylic acid; Morpholine-2-carboxylic acid, N-FMOC protected 95+%

Database IDs

• CAS Number: 312965-04-1
• MDL Number: MFCD00800355
• PubChem SID: 162058195
• PubChem CID: 2756128

CALCULATED PROPERTIES

• Acid pKa: 3.6185296
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.81620514
• LogD (pH = 7.4): -0.64279854
• Log P: 2.6936848
• Molar Refractivity: 93.7997 cm^3
• Polarizability: 37.64481 Å^3
• Polar Surface Area: 76.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%