(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(pyridin-2-yl)acetic acid

• ChemBase ID: 809254
• Molecular Formular: C22H18N2O4
• Molecular Mass: 374.38932
• Monoisotopic Mass: 374.12665707
• SMILES: [C@H](C(=O)O)(c1ncccc1)NC(=O)OCC1c2ccccc2c2ccccc12
• Canonical SMILES: O=C(N[C@H](c1ccccn1)C(=O)O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C22H18N2O4/c25-21(26)20(19-11-5-6-12-23-19)24-22(27)28-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18,20H,13H2,(H,24,27)(H,25,26)/t20-/m1/s1
• InChIKey: PGGAWZNGYYNWNO-HXUWFJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(pyridin-2-yl)acetic acid
• IUPAC Traditional name: (R)-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}(pyridin-2-yl)acetic acid
• Synonyms: (R)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-PYRIDIN-2-YL-ACETIC ACID

CALCULATED PROPERTIES

• Acid pKa: 2.9872012
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.512523
• LogD (pH = 7.4): 0.18744753
• Log P: 2.6114302
• Molar Refractivity: 101.9122 cm^3
• Polarizability: 40.844963 Å^3
• Polar Surface Area: 88.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%