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Glycine

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Glycine
IUPAC Name: 2-aminoacetic acid
Molecular Formula: C2H5NO2
SMILES: C(C(=O)O)N
Inchi: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
Inchi Key: DHMQDGOQFOQNFH-UHFFFAOYSA-N
Cas No: 56-40-6

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 4
Veber Violations 0
Egan Violations 0
Muegge Violations 3

Cross References

PubChem: 750
Zinc: ZINC4658552
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 75.07
Mass (g/mol) 75.032
Molar Refractivity 16.21
Net Charge
HBD 2
HBA 3
Rt Bonds 1
Rings
TPSA 63.32
Hetero Atoms 3
Heavy Atoms 5
Aromatic Heavy Atoms 0
Melting Point (°C) 240.00 to 245.00
Boiling Point (°C@760.00mm Hg) 240.94 
Vapor Pressure (mmHg@25.00 °C) 0.012
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP -0.97
iLOGP 0.37
XLOGP3 -3.21
WLOGP -0.97
MLOGP -3.58
ESOL Log S 1.78
ESOL Solubility (mg/ml) 4550
ESOL Solubility (mol/l) 60.7
ESOL Class: esol_class Highly soluble
Ali Log S 2.45
Ali Solubility (mg/ml) 21200
Ali Solubility (mol/l) 282
Ali Class Highly soluble
Silicos-IT LogSw 0.83
Silicos-IT Solubility (mg/ml) 510
Silicos-IT Solubility (mol/l) 6.79
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -9.04
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding -0.196
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 0.531
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
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