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Arginine

Odors

No information available

Receptor Interaction

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

General Information

Common Name: Arginine
IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
Molecular Formula: C6H14N4O2
SMILES: C(C[C@@H](C(=O)O)N)CN=C(N)N
Inchi: 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
Inchi Key: ODKSFYDXXFIFQN-BYPYZUCNSA-N
Cas No: 74-79-3

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 1
Veber Violations 0
Egan Violations 0
Muegge Violations 2

Cross References

PubChem: 6322
Zinc: ZINC1532525
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 174.20
Mass (g/mol) 174.112
Molar Refractivity 44.54
Net Charge 1
HBD 4
HBA 4
Rt Bonds 5
Rings
TPSA 127.72
Hetero Atoms 6
Heavy Atoms 12
Aromatic Heavy Atoms 0
Melting Point (°C) 238.00 to 244.00
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.67
LogP -1.338
iLOGP 0.27
XLOGP3 -4.19
WLOGP -1.55
MLOGP -3.21
ESOL Log S 2.05
ESOL Solubility (mg/ml) 19500
ESOL Solubility (mol/l) 112
ESOL Class: esol_class Highly soluble
Ali Log S 2.11
Ali Solubility (mg/ml) 22700
Ali Solubility (mol/l) 130
Ali Class Highly soluble
Silicos-IT LogSw 0.47
Silicos-IT Solubility (mg/ml) 514
Silicos-IT Solubility (mol/l) 2.95
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption Low
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -10.34
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.142
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 1
Acute Oral Toxicity 1.35
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