5-(Hydroxy-Methyl-Amino)-3-Methyl-Pyrrolidine-2-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C7H14N2O3
PTK: 174.1977
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H14N2O3
Phân tử khối
174.1977
Monoisotopic mass
174.100442324
InChI
InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5+,6-/m0/s1
InChI Key
InChIKey=PGYJBAGGGAUHGV-JKUQZMGJSA-N
IUPAC Name
(2S,3S,5R)-5-[hydroxy(methyl)amino]-3-methylpyrrolidine-2-carboxylic acid
Traditional IUPAC Name
(2S,3S,5R)-5-[hydroxy(methyl)amino]-3-methylpyrrolidine-2-carboxylic acid
SMILES
C[C@H]1C[C@H](N[C@@H]1C(O)=O)N(C)O
Độ hòa tan
1.70e+02 g/l
logP
-2.8
logS
-0.01
pKa (strongest acidic)
3.11
pKa (Strongest Basic)
7.43
PSA
72.8 Å2
Refractivity
41.87 m3·mol-1
Polarizability
17.67 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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