6-amino-2-(hydroxyamino)hexanoic acid

• ChemBase ID: 127757
• Molecular Formular: C6H14N2O3
• Molecular Mass: 162.18696
• Monoisotopic Mass: 162.10044232
• SMILES: NCCCCC(NO)C(=O)O
• Canonical SMILES: NCCCCC(C(=O)O)NO
• InChI: InChI=1S/C6H14N2O3/c7-4-2-1-3-5(8-11)6(9)10/h5,8,11H,1-4,7H2,(H,9,10)
• InChIKey: QJHBJHUKURJDLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-(hydroxyamino)hexanoic acid
• IUPAC Traditional name: hydroxylysine
• Synonyms: 5-Hydroxy-L-lysine; α,ω-diamino-δ-hydroxycaproic acid; Hydroxylysine

Database IDs

• CAS Number: 28902-93-4
• PubChem SID: 162222075
• PubChem CID: 3032849; 18927055
• Chemspider ID: 10613296
• MeSH Name: Hydroxylysine
• Unique Ingredient Identifier: 2GQB349IUB
• Wikipedia Title: Hydroxylysine

CALCULATED PROPERTIES

• Acid pKa: 4.5748873
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.9076574
• LogD (pH = 7.4): -2.8656583
• Log P: -2.866144
• Molar Refractivity: 50.0669 cm^3
• Polarizability: 16.03129 Å^3
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true