Carfilzomib Impurity C

CAT: 1299-RM-K161803-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K161803-01Size:10 mg

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CAS Number

1528769-13-2

Synonyms

(S) -2-amino-4-methyl-1- ((S) -2-methyloxiran-2-yl) pentan-1-one

Molecular Formula

C9H17NO2

Molecular Weight

171.24

Target Alternative Name

Carfilzomib; Kyprolis

Product Name Synonym

(S) -2-amino-4-methyl-1- ((S) -2-methyloxiran-2-yl) pentan-1-one

Chemical Information

Carfilzomib Impurity 3

CAS Number	1528769-13-2
PubChem CID	78358374
IUPAC Name	(2S)-2-amino-4-methyl-1-[(2S)-2-methyloxiran-2-yl]pentan-1-one
Molecular Formula	C9H17NO2
Molecular Weight	171.24
XLogP	0.6
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	191

SMILES

CC(C)C[C@@H](C(=O)[C@@]1(CO1)C)N

InChI

InChI=1S/C9H17NO2/c1-6(2)4-7(10)8(11)9(3)5-12-9/h6-7H,4-5,10H2,1-3H3/t7-,9-/m0/s1

InChIKey

ASROSKVBCYFAHU-CBAPKCEASA-N

Chemical Structure

2D Structure

CAS: 1528769-13-2

CID: 78358374

Formula: C9H17NO2

MW: 171.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.24
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	171.125928785
Monoisotopic Mass	171.125928785
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	191
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