Alternatived Products of [ 1260092-44-1 ]
Product Details of [ 1260092-44-1 ]
CAS No. : | 1260092-44-1 |
MDL No. : | MFCD22574796 |
Formula : |
C10H19NO5
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | YGNSGMAPLOVGIU-UHFFFAOYSA-N |
M.W : |
233.26
|
Pubchem ID : | 23591750 |
Synonyms : |
|
Chemical Name : | 3-(2-((tert-Butoxycarbonyl)amino)ethoxy)propanoic acid |
Calculated chemistry of [ 1260092-44-1 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
16 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.8 |
Num. rotatable bonds : |
9 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
57.55 |
TPSA : |
84.86 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.52 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.14 |
Log Po/w (XLOGP3) : |
0.28 |
Log Po/w (WLOGP) : |
1.0 |
Log Po/w (MLOGP) : |
0.32 |
Log Po/w (SILICOS-IT) : |
0.43 |
Consensus Log Po/w : |
0.84 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-0.87 |
Solubility : |
31.6 mg/ml ; 0.135 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.62 |
Solubility : |
5.55 mg/ml ; 0.0238 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-1.57 |
Solubility : |
6.25 mg/ml ; 0.0268 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
2.71 |
Safety of [ 1260092-44-1 ]