Molecule

ID:37715

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
146.1445
Exact Mass
146.06914219
Charge
0
InChI
InChI=1S/C5H10N2O3/c1-7(2)5(10)6-3-4(8)9/h3H2,1-2H3,(H,6,10)(H,8,9)
InChIKey
NIOSHQZHBSRBRU-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)NCC(=O)O)C
Isomeric Smiles
C(=O)(NCC(=O)O)N(C)C
Calculated Properties
JChem
Acid pKa
3.9596956
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.7630365
LogD (pH = 7.4)
-4.396552
Log P
-1.2148224
Molar Refractivity
33.9173
Polarizability
12.964616
Polar Surface Area
69.64
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation