methyl (2R)-2,5-diaminopentanoate dihydrochloride

• ChemBase ID: 288473
• Molecular Formular: C6H16Cl2N2O2
• Molecular Mass: 219.10944
• Monoisotopic Mass: 218.05888312
• SMILES: [C@@H](CCCN)(C(=O)OC)N.Cl.Cl
• Canonical SMILES: NCCC[C@H](C(=O)OC)N.Cl.Cl
• InChI: InChI=1S/C6H14N2O2.2ClH/c1-10-6(9)5(8)3-2-4-7;;/h5H,2-4,7-8H2,1H3;2*1H/t5-;;/m1../s1
• InChIKey: SNFZNVWAQDVFAK-ZJIMSODOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-2,5-diaminopentanoate dihydrochloride
• IUPAC Traditional name: methyl (2R)-2,5-diaminopentanoate dihydrochloride
• Synonyms: H-Orn-OMe 2HCl

Database IDs

• CAS Number: 40216-82-8
• MDL Number: MFCD00190977
• PubChem SID: 180674004
• PubChem CID: 16127077

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.8990455
• LogD (pH = 7.4): -3.9080257
• Log P: -1.0092866
• Molar Refractivity: 37.9776 cm^3
• Polarizability: 15.611445 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%