NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
(3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid
|
|
|
IUPAC Traditional name
|
(3R)-3-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid
|
|
|
Synonyms
|
(R)-3-tert-Butoxycarbonylamino-3-(3-fluorophenyl)propionic acid
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
4.2658367
|
H Acceptors
|
3
|
H Donor
|
2
|
LogD (pH = 5.5)
|
1.2519898
|
LogD (pH = 7.4)
|
-0.4790231
|
Log P
|
2.5085766
|
Molar Refractivity
|
70.075 cm3
|
Polarizability
|
27.236969 Å3
|
Polar Surface Area
|
75.63 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
|
95+%
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent