(2R)-2-amino-6-hydroxyhexanoic acid

• ChemBase ID: 1984
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: N[C@H](CCCCO)C(=O)O
• Canonical SMILES: OCCCC[C@H](C(=O)O)N
• InChI: InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m1/s1
• InChIKey: OLUWXTFAPJJWPL-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-6-hydroxyhexanoic acid
• IUPAC Traditional name: 6-hydroxy-D-norleucine
• Synonyms: 6-Hydroxy-D-Norleucine

Database IDs

• PubChem SID: 160965439; 46506578
• PubChem CID: 97725; 5288041

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.4582765
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.866048
• LogD (pH = 7.4): -2.8687441
• Log P: -2.8659077
• Molar Refractivity: 36.152 cm^3
• Polarizability: 14.5027485 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.94
• LOG S: -0.16
• Solubility (Water): 1.01e+02 g/l

DETAILS

DrugBank - DB02233

Drug information: experimental