| Drug Name |
US8586571, 12
|
| Synonyms |
4-(3-(2-tert-butylphenoxy)azetidin-1-yl)-4-oxobutanoic acid; 4-[3-(2-tert-butylphenoxy)azetidin-1-yl]-4-oxobutanoic acid; SCHEMBL3104804; CHEMBL3642667; PSHYFYJKCNFREU-UHFFFAOYSA-N; BDBM106683; US8586571, 12
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
305.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.3 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C17H23NO4
- IUPAC Name
4-[3-(2-tert-butylphenoxy)azetidin-1-yl]-4-oxobutanoic acid - Canonical SMILES
-
CC(C)(C)C1=CC=CC=C1OC2CN(C2)C(=O)CCC(=O)O
- InChI
-
InChI=1S/C17H23NO4/c1-17(2,3)13-6-4-5-7-14(13)22-12-10-18(11-12)15(19)8-9-16(20)21/h4-7,12H,8-11H2,1-3H3,(H,20,21)
- InChIKey
-
PSHYFYJKCNFREU-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 25242543
- TTD ID
- D08PYU
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