2-amino-5-methoxypentanoic acid hydrochloride

• ChemBase ID: 238916
• Molecular Formular: C6H14ClNO3
• Molecular Mass: 183.63326
• Monoisotopic Mass: 183.06622099
• SMILES: C(=O)(C(N)CCCOC)O.Cl
• Canonical SMILES: COCCCC(C(=O)O)N.Cl
• InChI: InChI=1S/C6H13NO3.ClH/c1-10-4-2-3-5(7)6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H
• InChIKey: GEQAUAQKOLOOOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methoxypentanoic acid hydrochloride
• IUPAC Traditional name: 2-amino-5-methoxypentanoic acid hydrochloride
• Synonyms: 2-amino-5-methoxypentanoic acid hydrochloride

Database IDs

• MDL Number: MFCD22378657
• PubChem SID: 164294826
• PubChem CID: 71756268

CALCULATED PROPERTIES

• Acid pKa: 2.4582322
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6674867
• LogD (pH = 7.4): -2.6702
• Log P: -2.667347
• Molar Refractivity: 36.3022 cm^3
• Polarizability: 14.570952 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.337

Product Information

• Purity: 95%