NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(3-aminopropanamido)-4-(methylsulfanyl)butanoic acid
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IUPAC Traditional name
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2-(3-aminopropanamido)-4-(methylsulfanyl)butanoic acid
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Synonyms
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CAS Number
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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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3.8053045
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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-3.065055
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LogD (pH = 7.4)
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-3.0655243
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Log P
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-3.0603607
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Molar Refractivity
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55.0889 cm3
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Polarizability
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21.83974 Å3
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Polar Surface Area
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92.42 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
German water hazard class
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3
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Show
data source
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Personal Protective Equipment
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Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent