Molecule

ID:39341

General Information
Structure
Molecular Formula
C₁₅H₂₀FNO₄
Molecular Mass
297.3220032
Exact Mass
297.13763635
Charge
0
InChI
InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-5-4-6-11(16)7-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKey
ZKVPDNJRPDEQCZ-LBPRGKRZSA-N
Canonic Smiles
OC(=O)C[C@H](Cc1cccc(c1)F)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(cccc(c1)C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)F
Calculated Properties
JChem
Acid pKa
4.3709526
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6387911
LogD (pH = 7.4)
-0.11298559
Log P
2.7972379
Molar Refractivity
74.83
Polarizability
29.06397
Polar Surface Area
75.63
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
CAS 270596-51-5|(3S)-3-[(tert-butoxycarbonyl)amino]-4-(3-fluorophenyl)butanoic acid|(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(3-fluorophenyl)butanoic acid|Boc-(S)-3-amino-4-(3-fluorophenyl)-butyric a... | Molfinder