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Tyrosine

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: Tyrosine
IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
Molecular Formula: C9H11NO3
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
Inchi: 1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Inchi Key: OUYCCCASQSFEME-QMMMGPOBSA-N
Cas No: 60-18-4

Functional Group

Drug Likeness

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

Cross References

PubChem: 6057
Zinc: ZINC266964
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 181.19
Mass (g/mol) 181.074
Molar Refractivity 47.52
Net Charge
HBD 3
HBA 4
Rt Bonds 3
Rings 1
TPSA 83.55
Hetero Atoms 4
Heavy Atoms 13
Aromatic Heavy Atoms 6
Melting Point (°C) 342.00 to 344.00
Boiling Point (°C@760.00mm Hg) 351.17
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.22
LogP 0.347
iLOGP 0.84
XLOGP3 -2.26
WLOGP 0.35
MLOGP -1.70
ESOL Log S 0.32
ESOL Solubility (mg/ml) 376
ESOL Solubility (mol/l) 2.07
ESOL Class: esol_class Highly soluble
Ali Log S 1.04
Ali Solubility (mg/ml) 1980
Ali Solubility (mol/l) 11
Ali Class Highly soluble
Silicos-IT LogSw -1.29
Silicos-IT Solubility (mg/ml) 9.29
Silicos-IT Solubility (mol/l) 0.05
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 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.597
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.212
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