NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(aminomethyl)-5-methylhexanoic acid
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IUPAC Traditional name
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3-(aminomethyl)-5-methylhexanoic acid
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Synonyms
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3-(Aminomethyl)-5-methylhexanoic acid
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3-(Aminomethyl)-5-methylhexanoic Acid
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rac-PD-144723
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rac-CI-1008
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(+/-)-Pregabalin
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rac-Pregabalin
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CAS 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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4.8009205
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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-1.4076396
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LogD (pH = 7.4)
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-1.3444575
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Log P
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-1.3455846
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Molar Refractivity
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43.68 cm3
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Polarizability
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17.506392 Å3
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Polar Surface Area
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63.32 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent