Alternatived Products of [ 1188-37-0 ]
Product Details of [ 1188-37-0 ]
CAS No. : | 1188-37-0 |
MDL No. : | MFCD00002802 |
Formula : |
C7H11NO5
|
Boiling Point : |
- |
Linear Structure Formula : | HOOCCH(NHCOCH3)CH2CH2COOH |
InChI Key : | RFMMMVDNIPUKGG-YFKPBYRVSA-N |
M.W : |
189.17
|
Pubchem ID : | 70914 |
Synonyms : |
|
Chemical Name : | N-Acetyl-L-glutamic acid |
Calculated chemistry of [ 1188-37-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
13 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.57 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
42.31 |
TPSA : |
103.7 ?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) : |
-8.75 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.5 |
Log Po/w (XLOGP3) : |
-1.82 |
Log Po/w (WLOGP) : |
-0.56 |
Log Po/w (MLOGP) : |
-0.73 |
Log Po/w (SILICOS-IT) : |
-0.75 |
Consensus Log Po/w : |
-0.67 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
0.53 |
Solubility : |
641.0 mg/ml ; 3.39 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
0.16 |
Solubility : |
273.0 mg/ml ; 1.44 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.12 |
Solubility : |
252.0 mg/ml ; 1.33 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.99 |