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L-Lysine hydrochloride

Odors

No information available

Receptor Interaction

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

General Information

Common Name: L-Lysine hydrochloride
IUPAC Name: (2S)-2,6-diaminohexanoic acid;hydrochloride
Molecular Formula: C6H15ClN2O2
SMILES: C(CCN)C[C@@H](C(=O)O)N.Cl
Inchi: 1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
Inchi Key: BVHLGVCQOALMSV-JEDNCBNOSA-N
Cas No: 657-27-2

Functional Group

Drug Likeness

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

Cross References

PubChem: 69568
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 182.65
Mass (g/mol) 182.082
Molar Refractivity 45.11
Net Charge
HBD 3
HBA 4
Rt Bonds 5
Rings
TPSA 89.34
Hetero Atoms
Heavy Atoms 11
Aromatic Heavy Atoms 0
Melting Point (°C) 261.00 to 263.00
Boiling Point (°C@760.00mm Hg) 311.5
Vapor Pressure (mmHg@25.00 °C) 0.000123
Vapor Density (Air =1)
Fraction Csp3 0.83
LogP
iLOGP 0.00
XLOGP3 -2.25
WLOGP 0.33
MLOGP -2.32
ESOL Log S 0.78
ESOL Solubility (mg/ml) 1090
ESOL Solubility (mol/l) 5.96
ESOL Class: esol_class Highly soluble
Ali Log S 0.91
Ali Solubility (mg/ml) 1480
Ali Solubility (mol/l) 8.08
Ali Class Highly soluble
Silicos-IT LogSw -0.18
Silicos-IT Solubility (mg/ml) 120
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) -9.01
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 0
Plasm Protein Binding 0.417
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 1
Acute Oral Toxicity 2.58
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