methyl 2-amino-5-methoxypentanoate hydrochloride

• ChemBase ID: 246895
• Molecular Formular: C7H16ClNO3
• Molecular Mass: 197.65984
• Monoisotopic Mass: 197.08187106
• SMILES: C(=O)(C(N)CCCOC)OC.Cl
• Canonical SMILES: COCCCC(C(=O)OC)N.Cl
• InChI: InChI=1S/C7H15NO3.ClH/c1-10-5-3-4-6(8)7(9)11-2;/h6H,3-5,8H2,1-2H3;1H
• InChIKey: GIUAWZWTPVFTLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-5-methoxypentanoate hydrochloride
• IUPAC Traditional name: methyl 2-amino-5-methoxypentanoate hydrochloride
• Synonyms: methyl 2-amino-5-methoxypentanoate hydrochloride

Database IDs

• PubChem SID: 164302805
• PubChem CID: 71758104

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1300743
• LogD (pH = 7.4): -0.55785096
• Log P: -0.2592783
• Molar Refractivity: 41.0713 cm^3
• Polarizability: 16.639622 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.652

Product Information

• Purity: 95%