(2S)-6-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

• ChemBase ID: 69362
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: C(=O)([C@H](CCCCN)NC(=O)OCC1c2ccccc2c2ccccc12)O
• Canonical SMILES: NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H24N2O4/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1
• InChIKey: YRKFMPDOFHQWPI-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-6-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
• IUPAC Traditional name: (2S)-6-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid
• Synonyms: Fmoc-L-lysine; N-α-FMOC-L-LYSINE; Fmoc-Lys-OH

Database IDs

• CAS Number: 105047-45-8
• MDL Number: MFCD00038539
• PubChem SID: 162035088
• PubChem CID: 7010557

CALCULATED PROPERTIES

• Acid pKa: 3.6196792
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.64612985
• LogD (pH = 7.4): 0.65015
• Log P: 0.6504462
• Molar Refractivity: 101.8893 cm^3
• Polarizability: 41.04742 Å^3
• Polar Surface Area: 101.65 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%