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D-Tyrosine

Athanor · official

C9H11NO3 · 181.19 g/mol

IUPAC name: (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid

Amino acids
Open in Athanor
The structure of D-Tyrosine
Drawn from its SMILES with RDKit
Harmful or irritantWarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritation

Names and identifiers

IUPAC name
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid
Synonyms
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid, D-Tyr, D-Tyrosin
+ 35 more

(R)-TYROSINE, WQ5G9JQ7GC, CHEBI:28479, (R)-3-(p-Hydroxyphenyl)alanine, EINECS 209-112-6, D-4-HYDROXYPHENYLALANINE, DTXSID50883441, (R)-2-Amino-3-(p-hydroxyphenyl)propionic acid, 2-amino-3-(4-hydroxyphenyl)-propanoic acid, RefChem:585118, DTXCID601022972, (2R)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate, 209-112-6, H-D-Tyr-OH, (R)-2-amino-3-(4-hydroxyphenyl)propanoic acid, MFCD00063073, 3-(4-Hydroxyphenyl)-D-alanine, Tyrosine, d-, CHEMBL1076637, M02937, DTY, D-(+)-Tyrosine, d-p-Tyrosine, DTyr, (D)-Tyrosine, UNII-WQ5G9JQ7GC, SCHEMBL20787, orb1297406, orb1940933, SCHEMBL27800519, CS-D1377, HY-Y0444, D-Tyrosine, ReagentPlus(R), 99%, BDBM50463198, EBC-04167

Molecular formula
C9H11NO3
Empirical formula
C9H11NO3
Molecular weight
181.19 g/mol
Exact mass
181.07389
CAS number
556-02-5
PubChem CID
71098
Canonical SMILES
C1=CC(=CC=C1CC(C(=O)O)N)O
Isomeric SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)N)O
InChI
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-/m1/s1
InChIKey
OUYCCCASQSFEME-MRVPVSSYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
13
Rings
1
Aromatic rings
1
Fraction sp³ carbons (Fsp3)
0.22
H-bond donors
3
H-bond acceptors
3 computed here · PubChem 4
Rotatable bonds
3
TPSA (Ų)
83.5 computed here · PubChem 83.6
Formal charge
0
XLogP3
-2.3 PubChem
Complexity
176 PubChem
Stereocenters
1 definedCIP: C2: R
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C59.66%
  • H6.12%
  • N7.73%
  • O26.49%

Isotope pattern

100%181.07410%182.0771.1%183.079

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
0.35 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-1.33 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.15 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 181.19
  • log P ≤ 5 (Crippen): 0.35
  • H-bond donors ≤ 5: 3
  • H-bond acceptors ≤ 10: 3

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 51 company reports to ECHA. Source [1].

  • Harmful or irritant
  • H315Causes skin irritation (17.6% of reports)
  • H319Causes serious eye irritation (17.6% of reports)
  • H335May cause respiratory irritation (15.7% of reports)

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

View all classifications (2)
  • [1] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 82.4% (42 of 51) of all reports.
  • [1] European Chemicals Agency (ECHA) · 51 reports · WarningH315, H319, H335

Safety data sheets on the supplier’s page: ChemoSapiens, AppChem, Accel Scientific.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  5. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  6. ·Literature on PubChem

Data last updated 2026-10-14.