2-amino-N-hydroxypentanamide

• ChemBase ID: 153311
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: CCCC(C(=O)NO)N
• Canonical SMILES: CCCC(C(=O)NO)N
• InChI: InChI=1S/C5H12N2O2/c1-2-3-4(6)5(8)7-9/h4,9H,2-3,6H2,1H3,(H,7,8)
• InChIKey: YWQDCRINEFTEGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-hydroxypentanamide
• IUPAC Traditional name: 2-amino-N-hydroxypentanamide
• Synonyms: DL-Norvaline hydroxamate

Database IDs

• CAS Number: 36207-49-5
• MDL Number: MFCD00057761
• PubChem SID: 24897473; 162247450
• PubChem CID: 5056756

CALCULATED PROPERTIES

• Acid pKa: 8.906255
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.8530204
• LogD (pH = 7.4): -1.1970421
• Log P: -0.85939795
• Molar Refractivity: 33.2091 cm^3
• Polarizability: 13.33517 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 3
• 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

• Linear Formula: C5H12O2N2