(2S)-2-amino-5-(aminooxy)pentanoic acid

• ChemBase ID: 248471
• Molecular Formular: C5H12N2O3
• Molecular Mass: 148.16038
• Monoisotopic Mass: 148.08479225
• SMILES: C(=O)([C@@H](N)CCCON)O
• Canonical SMILES: NOCCC[C@@H](C(=O)O)N
• InChI: InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-10-7/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
• InChIKey: GFOZTGXHZSBIOB-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-(aminooxy)pentanoic acid
• IUPAC Traditional name: (2S)-2-amino-5-(aminooxy)pentanoic acid
• Synonyms: (2S)-2-amino-5-(aminooxy)pentanoic acid

Database IDs

• MDL Number: MFCD19212466
• PubChem SID: 164304381
• PubChem CID: 15217865

CALCULATED PROPERTIES

• Acid pKa: 2.3508568
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -3.1879132
• LogD (pH = 7.4): -3.1578522
• Log P: -3.1566658
• Molar Refractivity: 35.6207 cm^3
• Polarizability: 14.277121 Å^3
• Polar Surface Area: 98.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -4.342

Product Information

• Purity: 95%