Molecule

ID:51492

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey
WVDGSSCWFMSRHN-MRVPVSSYSA-N
Canonic Smiles
COC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1[C@@H](C(=O)OC)CCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3319457
LogD (pH = 7.4)
1.3319457
Log P
1.3319457
Molar Refractivity
57.8285
Polarizability
22.996452
Polar Surface Area
55.84
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
暂无数据
点击上传数据
References
Bioactivity
Navigation