(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxy-2-methylpropanoic acid

• ChemBase ID: 39204
• Molecular Formular: C19H19NO5
• Molecular Mass: 341.35786
• Monoisotopic Mass: 341.12632271
• SMILES: [C@](CO)(C)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
• Canonical SMILES: OC[C@](C(=O)O)(NC(=O)OCC1c2ccccc2c2c1cccc2)C
• InChI: InChI=1S/C19H19NO5/c1-19(11-21,17(22)23)20-18(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16,21H,10-11H2,1H3,(H,20,24)(H,22,23)/t19-/m1/s1
• InChIKey: QJTSLFSLVWJFCO-LJQANCHMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxy-2-methylpropanoic acid
• IUPAC Traditional name: (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-hydroxy-2-methylpropanoic acid
• Synonyms: Fmoc-L-alpha-methylserine; Fmoc-D-alpha-methylserine

Database IDs

• MDL Number: MFCD02682598; MFCD02682594
• PubChem SID: 161002511
• PubChem CID: 46737428

CALCULATED PROPERTIES

• Acid pKa: 3.6218903
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.5569366
• LogD (pH = 7.4): -0.904102
• Log P: 2.431173
• Molar Refractivity: 90.8341 cm^3
• Polarizability: 36.458607 Å^3
• Polar Surface Area: 95.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false