Pomalidomide Impurity C

CAT: 1299-RM-P131203-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P131203-02Size:25 mg

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CAS Number

918314-45-1

Synonyms

5-amino-4- (4-amino-1,3-dioxoisoindolin-2-yl) -5-oxopentanoic acid

Molecular Formula

C13H13N3O5

Molecular Weight

291.26

Target Alternative Name

Pomalidomide

Product Name Synonym

5-amino-4- (4-amino-1,3-dioxoisoindolin-2-yl) -5-oxopentanoic acid

Chemical Information

2H-Isoindole-2-butanoic acid, 4-amino-gamma-(aminocarbonyl)-1,3-dihydro-1,3-dioxo-

CAS Number	918314-45-1
PubChem CID	22612842
IUPAC Name	5-amino-4-(4-amino-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
Molecular Formula	C13H13N3O5
Molecular Weight	291.26
XLogP	-0.4
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	492

SMILES

C1=CC2=C(C(=C1)N)C(=O)N(C2=O)C(CCC(=O)O)C(=O)N

InChI

InChI=1S/C13H13N3O5/c14-7-3-1-2-6-10(7)13(21)16(12(6)20)8(11(15)19)4-5-9(17)18/h1-3,8H,4-5,14H2,(H2,15,19)(H,17,18)

InChIKey

JVYMXRZSOURPSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 918314-45-1

CID: 22612842

Formula: C13H13N3O5

MW: 291.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.26
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	291.08552052
Monoisotopic Mass	291.08552052
Topological Polar Surface Area	144 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	492
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes