(2S)-2-amino-5-hydroxypentanoic acid

• ChemBase ID: 2808
• Molecular Formular: C5H11NO3
• Molecular Mass: 133.14574
• Monoisotopic Mass: 133.07389322
• SMILES: N[C@@H](CCCO)C(=O)O
• Canonical SMILES: OCCC[C@@H](C(=O)O)N
• InChI: InChI=1S/C5H11NO3/c6-4(5(8)9)2-1-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
• InChIKey: CZWARROQQFCFJB-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-hydroxypentanoic acid
• IUPAC Traditional name: @5-hydroxy norvaline
• Synonyms: 5-Hydroxy Norvaline

Database IDs

• PubChem SID: 46505812; 160966256
• PubChem CID: 5287587

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.3552635
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3102179
• LogD (pH = 7.4): -3.3159978
• Log P: -3.3102088
• Molar Refractivity: 31.551 cm^3
• Polarizability: 12.682326 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -3.15
• LOG S: 0.3
• Solubility (Water): 2.68e+02 g/l

DETAILS

DrugBank - DB03105

Drug information: experimental