Molecule

ID:102479

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
146.1445
Exact Mass
146.06914219
Charge
0
InChI
InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
VPZXBVLAVMBEQI-VKHMYHEASA-N
Canonic Smiles
C[C@@H](C(=O)O)NC(=O)CN
Isomeric Smiles
C[C@H](NC(=O)CN)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6136515
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.9498086
LogD (pH = 7.4)
-4.012713
Log P
-3.9486609
Molar Refractivity
33.3008
Polarizability
13.317601
Polar Surface Area
92.42
Rotatable Bonds
3
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