(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRR
Thuốc Gốc
Small Molecule
CTHH: C9H17BN2O3
PTK: 212.054
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
212.054
Monoisotopic mass
212.133222886
InChI
InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
InChI Key
InChIKey=XSBZZZGVAIXJLD-YUMQZZPRSA-N
IUPAC Name
[(2R)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]boronic acid
Traditional IUPAC Name
(2R)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-ylboronic acid
SMILES
[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1)B(O)O
Độ hòa tan
3.02e+01 g/l
logP
-0.062
logS
-0.85
pKa (Strongest Basic)
9.82
PSA
72.8 Å2
Refractivity
50.91 m3·mol-1
Polarizability
22.55 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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