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NH2-C2-amido-C2-Boc

CAT: 0931-T18484-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18484-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1692613-62-9
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
NH2-C2-amido-C2-Boc is an alkyl/ether-based PROTAC linker used in synthesizing various PROTACs, including PROTAC CDK2/9 Degrader-1[1]. NH2-C5-NH-Boc also serves as a suitable precursor for synthesizing these PROTACs.
Smiles
O=C(OC(C)(C)C)CCC(=O)NCCN
Molecular Formula
C10H20N2O3
Molecular Weight
216.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NH2-C2-amido-C2-Boc
CAS Number1692613-62-9
PubChem CID106707091
IUPAC Nametert-butyl 4-(2-aminoethylamino)-4-oxobutanoate
Molecular FormulaC10H20N2O3
Molecular Weight216.28
XLogP-0.7
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity221
SMILES
CC(C)(C)OC(=O)CCC(=O)NCCN
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)5-4-8(13)12-7-6-11/h4-7,11H2,1-3H3,(H,12,13)
InChIKey
PINQOWFBHLVQEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NH2-C2-amido-C2-Boc
CAS: 1692613-62-9
CID: 106707091
Formula: C10H20N2O3
MW: 216.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.28
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass216.14739250
Monoisotopic Mass216.14739250
Topological Polar Surface Area81.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity221
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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