General Information of the Compound
Compound ID
CP0100089
Compound Name
(R)-2-amino-6-borono-2-[2-(piperidin-1-yl)ethyl]hexanoic acid (ABH-PE)
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Structure
Formula
C13H27BN2O4
Molecular Weight
286.181
Canonical SMILES
N[C@](CCCCB(O)O)(CCN1CCCCC1)C(O)=O
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InChI
InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1
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InChIKey
CHPILBYRQPOXMV-CYBMUJFWSA-N
Physicochemical Property
logP
0.2876
Rotatable Bonds
9
Heavy Atom Count
20
Polar Areas
107.02
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 66833213
ChEMBL ID
CHEMBL2326089