Molecule

ID:127231

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₄
Molecular Mass
175.18242
Exact Mass
175.0844579
Charge
0
InChI
InChI=1S/C7H13NO4/c1-2-7(8,6(11)12)4-3-5(9)10/h2-4,8H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey
QFYBYZLHPIALCZ-ZETCQYMHSA-N
Canonic Smiles
CC[C@@](C(=O)O)(CCC(=O)O)N
Isomeric Smiles
O=C(O)CC[C@](N)(C(=O)O)CC
Calculated Properties
JChem
Acid pKa
2.0948684
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.285685
LogD (pH = 7.4)
-5.055298
Log P
-2.2931237
Molar Refractivity
40.525
Polarizability
16.30556
Polar Surface Area
100.62
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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