(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Thuốc Gốc
Small Molecule
CTHH: C11H11NO4
PTK: 221.2093
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
221.2093
Monoisotopic mass
221.068807845
InChI
InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1
InChI Key
InChIKey=FPQOSKXLHCTVED-ZETCQYMHSA-N
IUPAC Name
(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Traditional IUPAC Name
(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILES
[H][C@]1(CN(C(=O)C1)C1=C(O)C=CC=C1)C(O)=O
Độ hòa tan
1.58e+01 g/l
logP
0.38
logS
-1.1
pKa (strongest acidic)
3.82
pKa (Strongest Basic)
-4.2
PSA
77.84 Å2
Refractivity
55 m3·mol-1
Polarizability
21.43 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
2
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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