Tìm theo
4-[(Isopropylamino)Methyl]Phenylalanine
Thuốc Gốc
Small Molecule
CTHH: C13H20N2O2
PTK: 236.3101
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H20N2O2
Phân tử khối
236.3101
Monoisotopic mass
236.152477894
InChI
InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1
InChI Key
InChIKey=RXWNCPQKMXQDHN-LBPRGKRZSA-N
IUPAC Name
(2S)-2-amino-3-(4-{[(propan-2-yl)amino]methyl}phenyl)propanoic acid
Traditional IUPAC Name
(2S)-2-amino-3-{4-[(isopropylamino)methyl]phenyl}propanoic acid
SMILES
CC(C)NCC1=CC=C(C[C@H](N)C(O)=O)C=C1
Độ hòa tan
1.92e-01 g/l
logP
-1.3
logS
-3.1
pKa (strongest acidic)
2.27
pKa (Strongest Basic)
9.99
PSA
75.35 Å2
Refractivity
67.53 m3·mol-1
Polarizability
26.95 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
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