5-Hydroxyamino-3-Methyl-Pyrrolidine-2-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C6H12N2O3
PTK: 160.1711
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
160.1711
Monoisotopic mass
160.08479226
InChI
InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4+,5-/m0/s1
InChI Key
InChIKey=PEFGUPQPFCDBPY-LMVFSUKVSA-N
IUPAC Name
(2S,3S,5R)-5-(hydroxyamino)-3-methylpyrrolidine-2-carboxylic acid
Traditional IUPAC Name
(2S,3S,5R)-5-(hydroxyamino)-3-methylpyrrolidine-2-carboxylic acid
SMILES
C[C@H]1C[C@@H](NO)N[C@@H]1C(O)=O
Độ hòa tan
3.04e+01 g/l
logP
-2.7
logS
-0.72
pKa (strongest acidic)
3.1
pKa (Strongest Basic)
7.32
PSA
81.59 Å2
Refractivity
47.59 m3·mol-1
Polarizability
15.82 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
4
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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