(2S)-2,5-diaminopentanoic acid hydrochloride

• ChemBase ID: 797625
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: Cl.C(=O)([C@H](CCCN)N)O
• Canonical SMILES: N[C@H](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/t4-;/m0./s1
• InChIKey: GGTYBZJRPHEQDG-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,5-diaminopentanoic acid hydrochloride
• IUPAC Traditional name: ornithine hydrochloride
• Synonyms: (S)-2,5-DiaMinopentanoic acid hydrochloride

Database IDs

• CAS Number: 3184-13-2

CALCULATED PROPERTIES

• 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
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%