(2R)-3-(tert-butoxy)-2-[(E)-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylidene]amino]propanoic acid

• ChemBase ID: 286766
• Molecular Formular: C22H25NO5
• Molecular Mass: 383.4376
• Monoisotopic Mass: 383.17327291
• SMILES: CC(C)(C)OC[C@H](C(=O)O)/N=C(\O)/OCC1c2ccccc2c2ccccc12
• Canonical SMILES: OC(=O)[C@H](/N=C(/OCC1c2ccccc2c2c1cccc2)\O)COC(C)(C)C
• 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-[(E)-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylidene]amino]propanoic acid
• IUPAC Traditional name: (2R)-3-(tert-butoxy)-2-[(E)-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylidene]amino]propanoic acid
• Synonyms: Fmoc-O-tert-Butyl-D-serine

Database IDs

• CAS Number: 128107-47-1
• MDL Number: MFCD00077071
• PubChem SID: 180672297
• PubChem CID: 7004204

CALCULATED PROPERTIES

• Acid pKa: 3.722303
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.6398909
• LogD (pH = 7.4): -1.6877654
• Log P: 4.482031
• Molar Refractivity: 105.4682 cm^3
• Polarizability: 41.931362 Å^3
• Polar Surface Area: 88.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%