NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(3aS,6aS)-5-[3-(dimethyl-1,2-oxazol-4-yl)propanoyl]-2-ethyl-1-oxo-octahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
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IUPAC Traditional name
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(3aS,6aS)-5-[3-(dimethyl-1,2-oxazol-4-yl)propanoyl]-2-ethyl-1-oxo-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
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Synonyms
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(3aS*,6aS*)-5-[3-(3,5-dimethylisoxazol-4-yl)propanoyl]-2-ethyl-1-oxohexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxylic acid
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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4.125981
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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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-2.0456502
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LogD (pH = 7.4)
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-3.7383041
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Log P
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-0.65441173
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Molar Refractivity
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88.8568 cm3
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Polarizability
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33.56661 Å3
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Polar Surface Area
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103.95 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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H Acceptors
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6
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H Donor
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1
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Log P
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0.63
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LOG S
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-2.29
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Polar Surface Area
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103.95 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent