Molecule

ID:136190

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
148.13056374
Exact Mass
148.06953192
Charge
0
InChI
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i3+1,6+1
InChIKey
ZDXPYRJPNDTMRX-UWTFFFEOSA-N
Canonic Smiles
NC(=O)CC[13C@@H](C(=O)O)[15NH2]
Isomeric Smiles
C(CC(=O)N)[13C@@H](C(=O)O)[15NH2]
Calculated Properties
JChem
Acid pKa
2.1473022
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.001106
LogD (pH = 7.4)
-4.0058823
Log P
-4.0011334
Molar Refractivity
33.1099
Polarizability
13.317601
Polar Surface Area
106.41
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation