Molecule

ID:136285

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₃
Molecular Mass
174.19766
Exact Mass
174.10044232
Charge
0
InChI
InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey
DATAGRPVKZEWHA-YFKPBYRVSA-N
Canonic Smiles
CCNC(=O)CC[C@@H](C(=O)O)N
Isomeric Smiles
CCNC(=O)CC[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
2.3531113
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.4204123
LogD (pH = 7.4)
-3.4250932
Log P
-3.4203734
Molar Refractivity
42.7552
Polarizability
16.951561
Polar Surface Area
92.42
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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