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PB30239

CAT: 0013-GTR19153645-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153645-01Size:100 mg
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Description
For the detailed information of PB30239, the solubility of PB30239 in water, the solubility of PB30239 in DMSO, the solubility of PB30239 in PBS buffer, the animal experiment (test) of PB30239, the cell expriment (test) of PB30239, the in vivo, in vitro and clinical trial test of PB30239, the EC50, IC50, and Affinity of PB30239.
CAS Number
1251012-82-4
Purity
>98%
Smiles
CC (C) (C) OC (=O) N1CC2 (C1) CC2C (=O) O
Molecular Formula
C11H17NO4
Molecular Weight
227.25698
Notes
For research use only.

Chemical Information

5-[(Tert-butoxy)carbonyl]-5-azaspiro[2.3]hexane-1-carboxylic acid
CAS Number1251012-82-4
PubChem CID71306057
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.3]hexane-2-carboxylic acid
Molecular FormulaC11H17NO4
Molecular Weight227.26
XLogP0.7
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity338
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC2C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-11(6-12)4-7(11)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
YHMUQYORLLKZHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(Tert-butoxy)carbonyl]-5-azaspiro[2.3]hexane-1-carboxylic acid
CAS: 1251012-82-4
CID: 71306057
Formula: C11H17NO4
MW: 227.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.26
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass227.11575802
Monoisotopic Mass227.11575802
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS130456-01PB30239

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