5-endo-BCN-pentanoic acid

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5-endo-BCN-pentanoic acid

5-endo-BCN-pentanoic acid | 2364591-80-8

Catalog Number R16-0013
Category BCN
Molecular Formula C₁₆H₂₃NO₄
Molecular Weight 293.36
Catalog Number Size Price Quantity
R16-0013 -- $--

Product Introduction

5-endo-BCN-pentanoic acid is a PROTAC linker, which is composed of alkyl chains. 5-endo-BCN-pentanoic acid can be used to synthesize a range of PROTACs.

Chemical Information

Synonyms endo-BCN-pentanoic acid
Purity 98%
IUPAC Name 5-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)pentanoic acid
Canonical SMILES C1CC2C(C2COC(=O)NCCCCC(=O)O)CCC#C1
InChI InChI=1S/C16H23NO4/c18-15(19)9-5-6-10-17-16(20)21-11-14-12-7-3-1-2-4-8-13(12)14/h12-14H,3-11H2,(H,17,20)(H,18,19)
InChI Key SHBBGNJSLQPJLH-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 293.16270821 g/mol
Monoisotopic Mass 293.16270821 g/mol
Topological Polar Surface Area 75.6Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 430
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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