Nirmatrelvir Impurity 63

CAT: 1299-RM-N070063-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N070063-01Size:10 mg

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CAS Number

1932478-97-1

Synonyms

Methyl (1S,2S,5R) -6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate

Molecular Formula

C9H15NO2

Molecular Weight

169.22

Target Alternative Name

Nirmatrelvir

Product Name Synonym

Methyl (1S,2S,5R) -6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate

Chemical Information

(1S,2S,5R)-methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate

CAS Number	1932478-97-1
PubChem CID	97170193
IUPAC Name	methyl (1S,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Molecular Formula	C9H15NO2
Molecular Weight	169.22
XLogP	1
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	225

SMILES

CC1([C@H]2[C@@H]1[C@H](NC2)C(=O)OC)C

InChI

InChI=1S/C9H15NO2/c1-9(2)5-4-10-7(6(5)9)8(11)12-3/h5-7,10H,4H2,1-3H3/t5-,6-,7+/m1/s1

InChIKey

KCIDWDVSBWPHLH-QYNIQEEDSA-N

Chemical Structure

2D Structure

CAS: 1932478-97-1

CID: 97170193

Formula: C9H15NO2

MW: 169.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.22
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	169.110278721
Monoisotopic Mass	169.110278721
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	225
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