(2S)-2-amino-5-carbamimidamido-N-hydroxypentanamide hydrochloride

• ChemBase ID: 155315
• Molecular Formular: C6H16ClN5O2
• Molecular Mass: 225.67654
• Monoisotopic Mass: 225.09925246
• SMILES: C(C[C@@H](C(=O)NO)N)CNC(=N)N.Cl
• Canonical SMILES: ONC(=O)[C@H](CCCNC(=N)N)N.Cl
• InChI: InChI=1S/C6H15N5O2.ClH/c7-4(5(12)11-13)2-1-3-10-6(8)9;/h4,13H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
• InChIKey: XXIIKRNWXSJTSJ-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-carbamimidamido-N-hydroxypentanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-5-carbamimidamido-N-hydroxypentanamide hydrochloride
• Synonyms: L-Arginine hydroxamate hydrochloride

Database IDs

• CAS Number: 35832-00-9
• MDL Number: MFCD00058065
• PubChem SID: 24891122; 162249453
• PubChem CID: 16218952

CALCULATED PROPERTIES

• Acid pKa: 8.785435
• H Acceptors: 6
• H Donor: 6
• LogD (pH = 5.5): -6.8101153
• LogD (pH = 7.4): -4.4158983
• Log P: -2.7119231
• Molar Refractivity: 57.5099 cm^3
• Polarizability: 18.237225 Å^3
• Polar Surface Area: 137.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Empirical Formula (Hill Notation): C6H15N5O2 · HCl

DETAILS

Sigma Aldrich - A7380

Biochem/physiol Actions
L-Arginine hydroxamate is used as a selection agent for regulatory mutants impaired in the formation of the DNA-binding protein and in which the expression of an argF::lacZ fusion is not controlled by arginine.