General Information of the Compound
Compound ID
CP0081947
Compound Name
2(S)-amino-6-boronohexanoic acid (ABH)
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Synonyms
(2S)-2-amino-6-(dihydroxyboranyl)hexanoic acid
(2S)-2-amino-6-(dihydroxyboryl)hexanoic acid
(2S)-2-amino-6-boronohexanoic acid
(R)-2-Amino-6-boronohexanoic acid
(S)-2-amino-6-boronohexanoic acid
2(S)-amino-6-boronohexanoic acid
2(S)-amino-6-boronohexanoic acid (ABH)
222638-65-5
6-(dihydroxyboryl)-L-norleucine
6-borono-L-norleucine
AKOS006284705
BDBM130378
CHEBI:40520
CTK1A1729
DTXSID20430749
GTPL5107
L-Norleucine, 6-borono-
SCHEMBL215523
ZINC169946036
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Structure
Formula
C6H14BNO4
Molecular Weight
174.993
Canonical SMILES
N[C@@H](CCCCB(O)O)C(O)=O
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InChI
InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
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InChIKey
HFKKMXCOJQIYAH-YFKPBYRVSA-N
Physicochemical Property
logP
-0.9586
Rotatable Bonds
6
Heavy Atom Count
12
Polar Areas
103.78
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
12

"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: 56676409
SID: 50087333
ChEMBL ID
CHEMBL1812661
Clinical Information about the Compound
Drug 1 ( 2(S)-amino-6-boronohexanoic acid )
Drug Name 2(S)-amino-6-boronohexanoic acid