Molecule

ID:131047

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₄
Molecular Mass
173.16654
Exact Mass
173.06880784
Charge
0
InChI
InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7-/m0/s1
InChIKey
YFYNOWXBIBKGHB-FFWSUHOLSA-N
Canonic Smiles
OC(=O)[C@H]1CC[C@@](C1)(N)C(=O)O
Isomeric Smiles
C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.8967843
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.8816943
LogD (pH = 7.4)
-5.6090703
Log P
-2.6539378
Molar Refractivity
38.6963
Polarizability
15.608209
Polar Surface Area
100.62
Rotatable Bonds
2
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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