1-[(tert-butoxy)carbonyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-carboxylic acid

• ChemBase ID: 53458
• Molecular Formular: C26H30N2O6
• Molecular Mass: 466.5262
• Monoisotopic Mass: 466.21038669
• SMILES: N1(C(NC(=O)OCC2c3c(c4c2cccc4)cccc3)CC(C(=O)O)CC1)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(NC1CC(CCN1C(=O)OC(C)(C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C26H30N2O6/c1-26(2,3)34-25(32)28-13-12-16(23(29)30)14-22(28)27-24(31)33-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21-22H,12-15H2,1-3H3,(H,27,31)(H,29,30)
• InChIKey: IOLBCFZNMMGGCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(tert-butoxy)carbonyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-carboxylic acid
• IUPAC Traditional name: 1-(tert-butoxycarbonyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-carboxylic acid
• Synonyms: 1-[(tert-butoxy)carbonyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-caboxylic acid; 1-[(tert-Butoxy)carbonyl]-2-{[(9H-fluoren-9-ylmeth oxy)carbonyl]amino}piperidine-4-caboxylic acid; 2-Aminopiperidine-4-carboxylic acid, N1-BOC 2-FMOC protected 95+%; 1-(tert-Butoxycarbonyl)-2-{[(9H-fluoren-9-yl)methoxycarbonyl]amino}piperidine-4-carboxylic acid

Database IDs

• MDL Number: MFCD17167329
• PubChem SID: 162058221
• PubChem CID: 21874499

CALCULATED PROPERTIES

• Acid pKa: 4.1296926
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.70221
• LogD (pH = 7.4): 1.007607
• Log P: 4.0876465
• Molar Refractivity: 124.948 cm^3
• Polarizability: 49.90869 Å^3
• Polar Surface Area: 105.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%