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1-Boc-Nipecotic acid

CAT: 0013-GTR19246218-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246218-01Size:25 g
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Description
1-Boc-Nipecotic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
84358-12-3
Smiles
O=C (N1CC (C (O) =O) CCC1) OC (C) (C) C
Molecular Formula
C11H19NO4
Molecular Weight
229.2729
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CAS Number84358-12-3
PubChem CID2735647
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Molecular FormulaC11H19NO4
Molecular Weight229.27
XLogP1.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity282
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
NXILIHONWRXHFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CAS: 84358-12-3
CID: 2735647
Formula: C11H19NO4
MW: 229.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight229.27
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass229.13140809
Monoisotopic Mass229.13140809
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity282
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