Brivaracetam Ethyl amide Impurity

CAT: 1596-AR-B05733-01Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B05733-01Size:250 Units

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CAS Number

2432911-32-3

Synonyms

(S) -N- ((S) -1-amino-1-oxobutan-2-yl) -2- ((R) -2-oxo-4-propylpyrrolidin-1-yl) butanamide

Molecular Formula

C15H27N3O3

Molecular Weight

297.4

API Name

Brivaracetam

Chemical Information

(S)-N-((S)-1-Amino-1-oxobutan-2-yl)-2-((R)-2-oxo-4-propylpyrrolidin-1-yl)butanamide

CAS Number	2432911-32-3
PubChem CID	155290941
IUPAC Name	(2S)-2-[[(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoyl]amino]butanamide
Molecular Formula	C15H27N3O3
Molecular Weight	297.39
XLogP	1.3
Topological Polar Surface Area	92.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	398

SMILES

CCC[C@@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N[C@@H](CC)C(=O)N

InChI

InChI=1S/C15H27N3O3/c1-4-7-10-8-13(19)18(9-10)12(6-3)15(21)17-11(5-2)14(16)20/h10-12H,4-9H2,1-3H3,(H2,16,20)(H,17,21)/t10-,11+,12+/m1/s1

InChIKey

MKEFTNCAGYTNSH-WOPDTQHZSA-N

Chemical Structure

2D Structure

CAS: 2432911-32-3

CID: 155290941

Formula: C15H27N3O3

MW: 297.39

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	297.39
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	297.20524173
Monoisotopic Mass	297.20524173
Topological Polar Surface Area	92.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	398
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes