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Lenalidomide Open Ring Impurity

CAT: 1596-AR-L01318-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01318-01Size:25 Units
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CAS Number
2197420-75-8
Synonyms
5-amino-2- (4-amino-1-oxoisoindolin-2-yl) -5-oxopentanoicacid
Molecular Formula
C13H15N3O4
Molecular Weight
277.28
API Name
Lenalidomide

Chemical Information

2-(4-Amino-1-oxoisoindolin-2-yl)-4-carbamoyl Butyric Acid
CAS Number2197420-75-8
PubChem CID11666285
IUPAC Name5-amino-2-(7-amino-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid
Molecular FormulaC13H15N3O4
Molecular Weight277.28
XLogP-0.9
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity426
SMILES
C1C2=C(C=CC=C2N)C(=O)N1C(CCC(=O)N)C(=O)O
InChI
InChI=1S/C13H15N3O4/c14-9-3-1-2-7-8(9)6-16(12(7)18)10(13(19)20)4-5-11(15)17/h1-3,10H,4-6,14H2,(H2,15,17)(H,19,20)
InChIKey
KSCACLRGQJXDAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Amino-1-oxoisoindolin-2-yl)-4-carbamoyl Butyric Acid
CAS: 2197420-75-8
CID: 11666285
Formula: C13H15N3O4
MW: 277.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight277.28
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass277.10625597
Monoisotopic Mass277.10625597
Topological Polar Surface Area127 Ų
Heavy Atom Count20
Formal Charge0
Complexity426
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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