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Lysine

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: Lysine
IUPAC Name: (2S)-2,6-diaminohexanoic acid
Molecular Formula: C6H14N2O2
SMILES: C(CCN)C[C@@H](C(=O)O)N
Inchi: 1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
Inchi Key: KDXKERNSBIXSRK-YFKPBYRVSA-N
Cas No: 56-87-1

Functional Group

Drug Likeness

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

Cross References

PubChem: 5962
Zinc: ZINC1532522
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 146.19
Mass (g/mol) 146.106
Molar Refractivity 38.14
Net Charge 1
HBD 3
HBA 4
Rt Bonds 5
Rings
TPSA 89.34
Hetero Atoms 4
Heavy Atoms 10
Aromatic Heavy Atoms 0
Melting Point (°C) 215.00 to 219.00
Boiling Point (°C@760.00mm Hg) 311.00 to 312.00
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.83
LogP -0.473
iLOGP 0.97
XLOGP3 -3.05
WLOGP -0.47
MLOGP -2.67
ESOL Log S 1.51
ESOL Solubility (mg/ml) 4680
ESOL Solubility (mol/l) 32
ESOL Class: esol_class Highly soluble
Ali Log S 1.74
Ali Solubility (mg/ml) 7990
Ali Solubility (mol/l) 54.7
Ali Class Highly soluble
Silicos-IT LogSw -0.18
Silicos-IT Solubility (mg/ml) 96.1
Silicos-IT Solubility (mol/l) 0.66
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -9.36
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.691
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 1
Acute Oral Toxicity 1.729
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