Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester
Thuốc Gốc
Small Molecule
CTHH: C16H21NO3
PTK: 275.3428
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H21NO3
Phân tử khối
275.3428
Monoisotopic mass
275.152143543
InChI
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15-/m1/s1
InChI Key
InChIKey=ZTVIKZXZYLEVOL-CBBWQLFWSA-N
IUPAC Name
(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-hydroxy-2-phenylacetate
Traditional IUPAC Name
(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-hydroxy-2-phenylacetate
SMILES
[H][C@](O)(C(=O)O[C@]1([H])C[C@]2([H])CC[C@]([H])(C1)N2C)C1=CC=CC=C1
Độ hòa tan
5.57e+00 g/l
logP
1.59
logS
-1.7
pKa (strongest acidic)
11.99
pKa (Strongest Basic)
9.38
PSA
49.77 Å2
Refractivity
75.81 m3·mol-1
Polarizability
29.26 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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