Molecule

ID:104710

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₃
Molecular Mass
133.14574
Exact Mass
133.07389322
Charge
0
InChI
InChI=1S/C5H11NO3/c1-3(7)4(6)5(8)9-2/h3-4,7H,6H2,1-2H3/t3?,4-/m0/s1
InChIKey
TVHCXXXXQNWQLP-BKLSDQPFSA-N
Canonic Smiles
COC(=O)[C@H](C(O)C)N
Isomeric Smiles
COC(=O)[C@@H](N)C(C)O
Calculated Properties
JChem
Acid pKa
14.668839
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.4646757
LogD (pH = 7.4)
-1.1809732
Log P
-1.0631522
Molar Refractivity
31.2289
Polarizability
12.918445
Polar Surface Area
72.55
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