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Lenalidomide Impurity 52

CAT: 1299-RM-L141252-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L141252-01Size:10 mg
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CAS Number
1198299-53-4
Synonyms
Methyl 5-amino-4- (4-amino-1-oxoisoindolin-2-yl) -5-oxopentanoate
Molecular Formula
C14H17N3O4
Molecular Weight
291.3
Target Alternative Name
Lenalidomide
Product Name Synonym
Methyl 5-amino-4- (4-amino-1-oxoisoindolin-2-yl) -5-oxopentanoate

Chemical Information

Methyl 5-amino-4-(4-amino-1-oxoisoindolin-2-yl)-5-oxopentanoate
CAS Number1198299-53-4
PubChem CID70209488
IUPAC Namemethyl 5-amino-4-(7-amino-3-oxo-1H-isoindol-2-yl)-5-oxopentanoate
Molecular FormulaC14H17N3O4
Molecular Weight291.30
XLogP-0.6
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity440
SMILES
COC(=O)CCC(C(=O)N)N1CC2=C(C1=O)C=CC=C2N
InChI
InChI=1S/C14H17N3O4/c1-21-12(18)6-5-11(13(16)19)17-7-9-8(14(17)20)3-2-4-10(9)15/h2-4,11H,5-7,15H2,1H3,(H2,16,19)
InChIKey
WZILKPOTAZGIBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 5-amino-4-(4-amino-1-oxoisoindolin-2-yl)-5-oxopentanoate
CAS: 1198299-53-4
CID: 70209488
Formula: C14H17N3O4
MW: 291.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.30
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass291.12190603
Monoisotopic Mass291.12190603
Topological Polar Surface Area116 Ų
Heavy Atom Count21
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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