(2R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

• ChemBase ID: 795769
• Molecular Formular: C22H25NO5
• Molecular Mass: 383.4376
• Monoisotopic Mass: 383.17327291
• SMILES: N([C@H](COC(C)(C)C)C(=O)O)C(=O)OCC1c2ccccc2c2c1cccc2
• Canonical SMILES: O=C(N[C@@H](C(=O)O)COC(C)(C)C)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
• InChIKey: REITVGIIZHFVGU-LJQANCHMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
• IUPAC Traditional name: (2R)-3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
• Synonyms: FMoc-O-Tert-Butyl-D-serine

Database IDs

• CAS Number: 128107-47-1

CALCULATED PROPERTIES

• Acid pKa: 3.830807
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0230463
• LogD (pH = 7.4): 0.4475298
• Log P: 3.6954932
• Molar Refractivity: 104.6776 cm^3
• Polarizability: 42.052715 Å^3
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%