2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE
Thuốc Gốc
Small Molecule
CTHH: C17H24N2O3
PTK: 304.3841
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
304.3841
Monoisotopic mass
304.178692644
InChI
InChI=1S/C17H24N2O3/c1-12(2)9-16(18-13(3)21)17(22)19-15(11-20)10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t15-,16-/m0/s1
InChI Key
InChIKey=QRDDFQYJOFVDNR-HOTGVXAUSA-N
IUPAC Name
(2S)-2-acetamido-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide
Traditional IUPAC Name
(2S)-2-acetamido-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide
SMILES
[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(C)=O)C=O
Độ hòa tan
4.17e-02 g/l
logP
1.46
logS
-3.9
pKa (strongest acidic)
12.68
pKa (Strongest Basic)
-1.1
PSA
75.27 Å2
Refractivity
84.61 m3·mol-1
Polarizability
33.47 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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