L-Glutamic acid hydrochloride
| Common Name: |
L-Glutamic acid hydrochloride |
| IUPAC Name: |
(2S)-2-aminopentanedioic acid;hydrochloride |
| Molecular Formula: |
C5H10ClNO4 |
| SMILES: |
C(CC(=O)O)[C@@H](C(=O)O)N.Cl |
| Inchi: |
1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1 |
| Inchi Key: |
RPAJSBKBKSSMLJ-DFWYDOINSA-N |
| Cas No: |
138-15-8 |
| Name |
Value |
| Lipinski Violations |
0 |
| Ghose Violations |
3 |
| Veber Violations |
0 |
| Egan Violations |
0 |
| Muegge Violations |
2 |
| Name |
Value |
| Molecular Weight (g/mol) |
159.98 |
| Mass (g/mol) |
183.03 |
| Molar Refractivity |
18.85 |
| Net Charge |
|
| HBD |
|
| HBA |
2 |
| Rt Bonds |
0 |
| Rings |
|
| TPSA |
40.13 |
| Hetero Atoms |
|
| Heavy Atoms |
6 |
| Aromatic Heavy Atoms |
0 |
| Melting Point (°C) |
214.00 |
| Boiling Point (°C@760.00mm Hg) |
333.80 |
| Vapor Pressure (mmHg@25.00 °C) |
0.000025 |
| Vapor Density (Air =1) |
|
| Fraction Csp3 |
1.00 |
| LogP |
|
| iLOGP |
0.00 |
| XLOGP3 |
-0.07 |
| WLOGP |
0.55 |
| MLOGP |
-1.30 |
| ESOL Log S |
-0.79 |
| ESOL Solubility (mg/ml) |
26.1 |
| ESOL Solubility (mol/l) |
0.163 |
| ESOL Class: esol_class |
Very soluble |
| Ali Log S |
-0.32 |
| Ali Solubility (mg/ml) |
76.3 |
| Ali Solubility (mol/l) |
0.48 |
| Ali Class |
Very soluble |
| Silicos-IT LogSw |
-0.22 |
| Silicos-IT Solubility (mg/ml) |
96.4 |
| Silicos-IT Solubility (mol/l) |
0.6 |
| Silicos-IT Class |
Soluble |
| Name |
Value |
| GI Absorption |
High |
| BBB Permeable |
1 |
| PgP Substrate |
0 |
| Log Kp (cm/s) |
-7.33 |
| Bioavailability Score |
0.55 |
| Caco2 |
0 |
| Human Intestinal Absorption |
0 |
| Plasm Protein Binding |
0.036 |
| CYP1A2 Inhibitor |
0 |
| CYP2C19 Inhibitor |
0 |
| CYP2C9 Inhibitor |
0 |
| CYP2D6 inhibitor |
0 |
| CYP3A4 inhibitor |
0 |
| Ames mutagenesis |
0 |
| Acute Oral Toxicity |
1.772 |
| Carcinogenicity (Binary) |
0 |
| Carcinogenicity (Trinary) |
Non-required |
| Eye Irritation |
0 |
| Hepatotoxicity |
0 |
| Androgen Receptor Binding |
0 |
| Aromatase Binding |
0 |
| Estrogen Receptor Binding |
0 |
| Glucocorticoid Receptor Binding |
0 |
| Thyroid Receptor Binding |
0 |
| BRCP inhibitor |
0 |
| BSEP inhibitor |
0 |
| OATP1B1 inhibitor |
1 |
| OATP1B3 inhibitor |
1 |
| OATP2B1 inhibitor |
0 |
| OCT1 inhibitor |
0 |
| OCT2 inhibitor |
0 |
