[4-(4-Hydroxy-Benzyl)-2-(2-Hydroxy-1-Methyl-Ethyl)-5-Oxo-Imidazolidin-1-Yl]-Acetic Acid
Thuốc Gốc
Small Molecule
CTHH: C14H19N3O5
PTK: 309.3178
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H19N3O5
Phân tử khối
309.3178
Monoisotopic mass
309.132470733
InChI
InChI=1S/C14H19N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-4,10-11,13,16,18-19H,5-7,15H2,(H,20,21)/t10-,11+,13+/m1/s1
InChI Key
InChIKey=IOOVFQXJDCDSOE-MDZLAQPJSA-N
IUPAC Name
2-[(2S,4S)-2-[(1S)-1-amino-2-hydroxyethyl]-4-[(4-hydroxyphenyl)methyl]-5-oxoimidazolidin-1-yl]acetic acid
Traditional IUPAC Name
[(2S,4S)-2-[(1S)-1-amino-2-hydroxyethyl]-4-[(4-hydroxyphenyl)methyl]-5-oxoimidazolidin-1-yl]acetic acid
SMILES
N[C@H](CO)[C@H]1N[C@@H](CC2=CC=C(O)C=C2)C(=O)N1CC(O)=O
Độ hòa tan
5.93e+00 g/l
logP
-3.2
logS
-1.7
pKa (strongest acidic)
3.47
pKa (Strongest Basic)
8.01
PSA
136.12 Å2
Refractivity
76.25 m3·mol-1
Polarizability
30.65 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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