Brivaracetam Impurity 106

CAT: 1299-RM-B181033-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B181033-01Size:10 mg

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CAS Number

2270957-06-5

Synonyms

(S) -2- ((R) -3- (hydroxymethyl) hexanamido) butanoic acid

Molecular Formula

C11H21NO4

Molecular Weight

231.29

Target Alternative Name

Brivaracetam

Product Name Synonym

(S) -2- ((R) -3- (hydroxymethyl) hexanamido) butanoic acid

Chemical Information

(S)-2-((R)-3-(Hydroxymethyl)hexanamido)butanoic acid

CAS Number	2270957-06-5
PubChem CID	170898569
IUPAC Name	(2S)-2-[[(3R)-3-(hydroxymethyl)hexanoyl]amino]butanoic acid
Molecular Formula	C11H21NO4
Molecular Weight	231.29
XLogP	1
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	16
Formal Charge	0
Complexity	230

SMILES

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

InChI

InChI=1S/C11H21NO4/c1-3-5-8(7-13)6-10(14)12-9(4-2)11(15)16/h8-9,13H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t8-,9+/m1/s1

InChIKey

RWRRWUAJCLDTHH-BDAKNGLRSA-N

Chemical Structure

2D Structure

CAS: 2270957-06-5

CID: 170898569

Formula: C11H21NO4

MW: 231.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.29
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	231.14705815
Monoisotopic Mass	231.14705815
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes