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

• ChemBase ID: 796321
• Molecular Formular: C22H23NO4
• Molecular Mass: 365.42232
• Monoisotopic Mass: 365.16270822
• SMILES: [C@H](C(=O)O)(C1CCCC1)NC(=O)OCC1c2ccccc2c2ccccc12
• Canonical SMILES: O=C(N[C@H](C1CCCC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C22H23NO4/c24-21(25)20(14-7-1-2-8-14)23-22(26)27-13-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19/h3-6,9-12,14,19-20H,1-2,7-8,13H2,(H,23,26)(H,24,25)/t20-/m1/s1
• InChIKey: JGWHUIQSEKGLAQ-HXUWFJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-cyclopentyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid
• IUPAC Traditional name: (R)-cyclopentyl({[(9H-fluoren-9-ylmethoxy)carbonyl]amino})acetic acid
• Synonyms: (R)-2-((((9H-Fluoren-9-yl)Methoxy)carbonyl)aMino)-2-cyclopentylacetic acid

Database IDs

• CAS Number: 136555-16-3

CALCULATED PROPERTIES

• Acid pKa: 3.8629436
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7167928
• LogD (pH = 7.4): 1.1258821
• Log P: 4.358224
• Molar Refractivity: 100.9725 cm^3
• Polarizability: 40.633385 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%