General Information of the Compound
Compound ID
CP0383058
Compound Name
tert-butyl N-[(3R)-2-oxooxetan-3-yl]carbamate
    Show/Hide
Structure
Formula
C8H13NO4
Molecular Weight
187.195
Canonical SMILES
CC(C)(C)OC(=O)N[C@@H]1COC1=O
    Show/Hide
InChI
InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m1/s1
    Show/Hide
InChIKey
HRJDEHQWXAPGBG-RXMQYKEDSA-N
Physicochemical Property
logP
0.4365
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
64.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11137856
SID: 16215003
ChEMBL ID
CHEMBL2064171
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03010, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS