Tìm theo
1(R)-1-Acetamido-2-(3-Carboxyphenyl)Ethyl Boronic Acid
Thuốc Gốc
Small Molecule
CTHH: C11H14BNO5
PTK: 251.044
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
251.044
Monoisotopic mass
251.096503029
InChI
InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
InChI Key
InChIKey=OBZSRKUYUGJGIM-JTQLQIEISA-N
IUPAC Name
3-[(2R)-2-(dihydroxyboranyl)-2-acetamidoethyl]benzoic acid
Traditional IUPAC Name
3-[(2R)-2-(dihydroxyboranyl)-2-acetamidoethyl]benzoic acid
SMILES
[H][[email protected]@](CC1=CC=CC(=C1)C(O)=O)(NC(C)=O)B(O)O
Độ hòa tan
4.91e-01 g/l
logP
0.88
logS
-2.7
pKa (strongest acidic)
4.04
pKa (Strongest Basic)
-0.97
PSA
106.86 Å2
Refractivity
59.67 m3·mol-1
Polarizability
25.27 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
... loading
... loading