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Monoammonium L-glutamate

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Monoammonium L-glutamate
IUPAC Name: (2S)-2-aminopentanedioic acid;azane
Molecular Formula: C5H12N2O4
SMILES: C(CC(=O)O)[C@@H](C(=O)O)N.N
Inchi: 1S/C5H9NO4.H3N/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H3/t3-;/m0./s1
Inchi Key: PHKGGXPMPXXISP-DFWYDOINSA-N
Cas No: 7558-63-6

Functional Group

Drug Likeness

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

Cross References

PubChem: 24802175
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 164.16
Mass (g/mol) 164.08
Molar Refractivity 37.13
Net Charge
HBD 4
HBA 6
Rt Bonds 4
Rings
TPSA 103.86
Hetero Atoms
Heavy Atoms 11
Aromatic Heavy Atoms 0
Melting Point (°C)
Boiling Point (°C@760.00mm Hg) 333.8
Vapor Pressure (mmHg@25.00 °C) 0.000025
Vapor Density (Air =1)
Fraction Csp3 0.60
LogP
iLOGP 0.00
XLOGP3 -6.70
WLOGP -0.41
MLOGP -3.99
ESOL Log S 3.63
ESOL Solubility (mg/ml) 696000
ESOL Solubility (mol/l) 4240
ESOL Class: esol_class Highly soluble
Ali Log S 5.22
Ali Solubility (mg/ml) 27300000
Ali Solubility (mol/l) 166000
Ali Class Highly soluble
Silicos-IT LogSw 0.89
Silicos-IT Solubility (mg/ml) 1290
Silicos-IT Solubility (mol/l) 7.83
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -12.06
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding -0.003
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 2.143
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