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Boc-piperidin-C-COOH

CAT: 0013-GTR19276057-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276057-01Size:50 mg
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Description
Boc-piperidin-C-COOH is a PROTAC linker utilized in the synthesis of PROTAC molecules.
CAS Number
157688-46-5
Smiles
O=C (OC (C) (C) C) N1CCC (CC (=O) O) CC1
Molecular Formula
C12H21NO4
Molecular Weight
243.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CAS Number157688-46-5
PubChem CID1512539
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
Molecular FormulaC12H21NO4
Molecular Weight243.30
XLogP1.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity287
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-9(5-7-13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKey
ZXFLMSIMHISJFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CAS: 157688-46-5
CID: 1512539
Formula: C12H21NO4
MW: 243.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.30
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass243.14705815
Monoisotopic Mass243.14705815
Topological Polar Surface Area66.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-W001860-01Boc-piperidin-C-COOH
abx085267-01Boc-COOH-PEG-COOH
HE073017-10K-01Boc-COOH-PEG-COOH, 10K
HE073017-2K-01Boc-COOH-PEG-COOH, 2K
HE073017-5K-01Boc-COOH-PEG-COOH, 5K
HE073017-20K-01Boc-COOH-PEG-COOH, 20K
BA2395-25000Boc-C16-COOH
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HY-W092036Boc-C17-COOH
HY-W109044Boc-C15-COOH

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