NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(3S)-5-methyl-3-[(methylamino)methyl]hexanoic acid
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IUPAC Traditional name
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(3S)-5-methyl-3-[(methylamino)methyl]hexanoic acid
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Synonyms
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(3S)-3-(N-Methylaminomethyl)-5-methylhexanoic Acid
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(S)-N-Methyl 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.830157
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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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-1.1881105
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LogD (pH = 7.4)
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-1.1205608
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Log P
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-1.1203924
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Molar Refractivity
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48.4546 cm3
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Polarizability
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19.344717 Å3
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Polar Surface Area
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49.33 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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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent