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Glycolic acid

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Glycolic acid
IUPAC Name: 2-hydroxyacetic acid
Molecular Formula: C2H4O3
SMILES: C(C(=O)O)O
Inchi: 1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
Inchi Key: AEMRFAOFKBGASW-UHFFFAOYSA-N
Cas No: 79-14-1

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 4
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 757
Zinc: ZINC4658557
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 76.05
Mass (g/mol) 76.016
Molar Refractivity 14.66
Net Charge -1
HBD 2
HBA 3
Rt Bonds 1
Rings
TPSA 57.53
Hetero Atoms 3
Heavy Atoms 5
Aromatic Heavy Atoms 0
Melting Point (°C) 79.50 
Boiling Point (°C@760.00mm Hg) 265.57 
Vapor Pressure (mmHg@25.00 °C) 0.001
Vapor Density (Air =1)
Fraction Csp3 0.50
LogP -0.937
iLOGP 0.24
XLOGP3 -1.11
WLOGP -0.94
MLOGP -1.37
ESOL Log S 0.45
ESOL Solubility (mg/ml) 216
ESOL Solubility (mol/l) 2.84
ESOL Class: esol_class Highly soluble
Ali Log S 0.39
Ali Solubility (mg/ml) 188
Ali Solubility (mol/l) 2.47
Ali Class Highly soluble
Silicos-IT LogSw 1.04
Silicos-IT Solubility (mg/ml) 844
Silicos-IT Solubility (mol/l) 11.1
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -7.55
Bioavailability Score 0.85
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding -0.243
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.261
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