NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(4-methoxyphenyl)[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]amino]acetic acid
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IUPAC Traditional name
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{[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl](4-methoxyphenyl)amino}acetic acid
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Synonyms
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[[2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-(4-methoxyphenyl)amino]acetic acid
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.0107393
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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0.7851822
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LogD (pH = 7.4)
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-0.8685217
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Log P
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2.284356
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Molar Refractivity
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98.6568 cm3
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Polarizability
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37.465385 Å3
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Polar Surface Area
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70.08 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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IRRITANT
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Show
data source
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MSDS Link
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TSCA Listed
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false
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent