(2R)-6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid

• ChemBase ID: 152247
• Molecular Formular: C14H20N2O4
• Molecular Mass: 280.3196
• Monoisotopic Mass: 280.14230713
• SMILES: c1ccc(cc1)COC(=O)N[C@H](CCCCN)C(=O)O
• Canonical SMILES: NCCCC[C@H](C(=O)O)NC(=O)OCc1ccccc1
• InChI: InChI=1S/C14H20N2O4/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m1/s1
• InChIKey: OJTJKAUNOLVMDX-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid
• IUPAC Traditional name: (2R)-6-amino-2-{[(benzyloxy)carbonyl]amino}hexanoic acid
• Synonyms: Nα-Cbz-D-lysine; Nα-Z-D-Lysine; Z-D-Lys-OH; Nα-Cbz-D-赖氨酸; Nα-Z-D-赖氨酸

Database IDs

• CAS Number: 70671-54-4
• MDL Number: MFCD00067713
• Beilstein Number: 5290234
• PubChem SID: 24890351; 162246392
• PubChem CID: 7017997

CALCULATED PROPERTIES

• Acid pKa: 3.6722085
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.81588596
• LogD (pH = 7.4): -0.8112727
• Log P: -0.81098807
• Molar Refractivity: 73.4895 cm^3
• Polarizability: 29.024624 Å^3
• Polar Surface Area: 101.65 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.0% (TLC)
• Linear Formula: NH2(CH2)4CH(NHCO2CH2C6H5)CO2H

DETAILS

Sigma Aldrich - 96825

Packaging
1 g in poly tube