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Glutamine

Odors

Receptor Interaction

No receptors available
Image
2D Structure
3D Conformer
image of chemical
 

Odor Profile

Strength: none

General Information

Common Name: Glutamine
IUPAC Name: (2S)-2,5-diamino-5-oxopentanoic acid
Molecular Formula: C5H10N2O3
SMILES: C(CC(=O)N)C(C(=O)O)N
Inchi: 1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Inchi Key: ZDXPYRJPNDTMRX-VKHMYHEASA-N
Cas No: 56-85-9

Functional Group

Acid
Amines

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 3
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 5961
Zinc: ZINC1532526
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 146.14
Mass (g/mol) 146.069
Molar Refractivity 33.54
Net Charge
HBD 3
HBA 4
Rt Bonds 4
Rings
TPSA 106.41
Hetero Atoms 5
Heavy Atoms 10
Aromatic Heavy Atoms 0
Melting Point (°C) 185.00 to 205.00
Boiling Point (°C@760.00mm Hg) 445.57
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.60
LogP -1.336
iLOGP 0.43
XLOGP3 -3.15
WLOGP -1.34
MLOGP -3.58
ESOL Log S 1.50
ESOL Solubility (mg/ml) 4650
ESOL Solubility (mol/l) 31.8
ESOL Class: esol_class Highly soluble
Ali Log S 1.48
Ali Solubility (mg/ml) 4440
Ali Solubility (mol/l) 30.4
Ali Class Highly soluble
Silicos-IT LogSw 0.68
Silicos-IT Solubility (mg/ml) 698
Silicos-IT Solubility (mol/l) 4.78
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -9.43
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding -0.03
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.146
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