(2R)-2,5-diaminopentanoic acid

• ChemBase ID: 269521
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=O)([C@H](N)CCCN)O
• Canonical SMILES: N[C@@H](C(=O)O)CCCN
• InChI: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1
• InChIKey: AHLPHDHHMVZTML-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2,5-diaminopentanoic acid
• IUPAC Traditional name: L-(-)-ornithine
• Synonyms: (2R)-2,5-diaminopentanoic acid

Database IDs

• MDL Number: MFCD06229535
• PubChem SID: 164325431
• PubChem CID: 71082

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

Physical Property

• Hydrophobicity(logP): -3.953

Product Information

• Purity: 95%