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

• ChemBase ID: 286765
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: O=C(O)CC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2ccccc12
• Canonical SMILES: OC(=O)CC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H19NO6/c22-18(23)10-9-17(19(24)25)21-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,26)(H,22,23)(H,24,25)/t17-/m0/s1
• InChIKey: QEPWHIXHJNNGLU-KRWDZBQOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanedioic acid
• IUPAC Traditional name: (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanedioic acid
• Synonyms: Fmoc-L-Glutamic acid

Database IDs

• CAS Number: 121343-82-6
• MDL Number: MFCD00237657
• PubChem SID: 180672296
• PubChem CID: 7019018

CALCULATED PROPERTIES

• Acid pKa: 3.3826027
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.8196933
• LogD (pH = 7.4): -3.8510888
• Log P: 2.6921663
• Molar Refractivity: 95.3675 cm^3
• Polarizability: 38.210262 Å^3
• Polar Surface Area: 112.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%