1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C9H15NO3S
PTK: 217.285
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
217.285
Monoisotopic mass
217.077264041
InChI
InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChI Key
InChIKey=FAKRSMQSSFJEIM-BQBZGAKWSA-N
IUPAC Name
(2S)-1-[(2R)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Traditional IUPAC Name
(2S)-1-[(2R)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
SMILES
[H][C@](C)(CS)C(=O)N1CCC[C@@]1([H])C(O)=O
Độ hòa tan
4.52e+00 g/l
logP
0.73
logS
-1.7
pKa (strongest acidic)
4.02
pKa (Strongest Basic)
-1.2
PSA
57.61 Å2
Refractivity
54.63 m3·mol-1
Polarizability
22.09 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading