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

• ChemBase ID: 103267
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: NC(CCCCNC(=O)OCC1c2c(cccc2)c2c1cccc2)C(=O)O
• Canonical SMILES: O=C(OCC1c2ccccc2c2c1cccc2)NCCCCC(C(=O)O)N
• InChI: InChI=1S/C21H24N2O4/c22-19(20(24)25)11-5-6-12-23-21(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)
• InChIKey: RAQBUPMYCNRBCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162105815
• PubChem CID: 14283985

CALCULATED PROPERTIES

• Log P: 0.6508867
• 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
• Acid pKa: 1.9827216
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.6508953
• LogD (pH = 7.4): 0.6479843

PROPERTIES

Safety Information

• Storage Condition: 0°C