hydrogen 2,5-diaminopentanoic acid chloride

• ChemBase ID: 294403
• Molecular Formular: C5H12ClN2O2-
• Molecular Mass: 167.61398
• Monoisotopic Mass: 167.05873031
• SMILES: C(CCN)C(N)C(=O)O.[Cl-]
• Canonical SMILES: NC(C(=O)O)CCCN.[Cl-]
• InChI: InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/p-1
• InChIKey: GGTYBZJRPHEQDG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 2,5-diaminopentanoic acid chloride
• IUPAC Traditional name: hydrogen ornithine L- monohydrochloride chloride
• Synonyms: L-Ornithine hydrochloride

Database IDs

• CAS Number: 3184-13-2
• MDL Number: MFCD00064562
• PubChem SID: 180679934
• PubChem CID: 73994956

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 2.6664226
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -6.399376
• LogD (pH = 7.4): -5.4160175
• Log P: -3.6582875
• Molar Refractivity: 33.2085 cm^3
• Polarizability: 13.533871 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 4

PROPERTIES

Product Information

• Purity: 98%