(S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid
Thuốc Gốc
Small Molecule
CTHH: C9H16N4O2
PTK: 212.2489
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H16N4O2
Phân tử khối
212.2489
Monoisotopic mass
212.127325776
InChI
InChI=1S/C9H16N4O2/c1-6(2)3-8(9(14)15)13-5-7(4-10)11-12-13/h5-6,8H,3-4,10H2,1-2H3,(H,14,15)/t8-/m1/s1
InChI Key
InChIKey=IAMZCZOWEDXWHW-MRVPVSSYSA-N
IUPAC Name
(2R)-2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentanoic acid
Traditional IUPAC Name
(2R)-2-[4-(aminomethyl)-1,2,3-triazol-1-yl]-4-methylpentanoic acid
SMILES
CC(C)C[C@@H](N1C=C(CN)N=N1)C(O)=O
Độ hòa tan
5.75e+00 g/l
logP
-1.7
logS
-1.6
pKa (strongest acidic)
3.49
pKa (Strongest Basic)
8.24
PSA
94.03 Å2
Refractivity
65.52 m3·mol-1
Polarizability
22.32 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
2
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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