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D-Tryptophan

Athanor · official

C11H12N2O2 · 204.22 g/mol

IUPAC name: (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid

Amino acids
Open in Athanor
The structure of D-Tryptophan
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-(1H-indol-3-yl)propanoic acid
Synonyms
D(+)-Tryptophan, (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid, (R)-Tryptophan
+ 35 more

(+)-Tryptophan, D-Trytophane, Tryptophan, D-, D-(+)-Tryptophan, DTXSID0046989, 7NS97N9H1G, EINECS 205-819-9, NSC 97942, CHEBI:16296, NSC-97942, DTXCID8026989, DTryptophane, (R)Tryptophan, Tryptophan, D, D(+)Tryptophan, 3,3'Indolyl2alanine, RefChem:585115, 2Amino3,3'indolylpropanoic acid, (R)alphaAmino3indolepropionic acid, (R)alphaAminoindole3propanoic acid, 3,3'-INDOLYL-2-ALANINE, alphaAmino3,3'indolylpropanoic acid, 2-AMINO-3,3'-INDOLYLPROPANOIC ACID, (R)-ALPHA-AMINO-3-INDOLEPROPIONIC ACID, (R)-ALPHA-AMINOINDOLE-3-PROPANOIC ACID, ALPHA-AMINO-3,3'-INDOLYLPROPANOIC ACID, (2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate, H-D-Trp-OH, D-TRYPTOPHANE, H-D-Typ-OH, D-Trp, MFCD00005647, D-Trp-OH, CHEMBL292303, DTR

Molecular formula
C11H12N2O2
Empirical formula
C11H12N2O2
Molecular weight
204.22 g/mol
Exact mass
204.08988
CAS number
153-94-6
PubChem CID
9060
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)N
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
InChIKey
QIVBCDIJIAJPQS-SECBINFHSA-N
Molfile

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

Physical properties

TemperaturePressureDensity
Appearance
D(+)-tryptophan is a white solid. (NTP, 1992)[1]
Melting point
275 to 282 °C (527 to 540 °F, NTP 1992)[1]
Solubility in water
1 to 5 mg/mL at 24 °C (75 °F, NTP 1992)[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
15
Rings
2
Aromatic rings
2
Fraction sp³ carbons (Fsp3)
0.18
H-bond donors
3
H-bond acceptors
2 computed here · PubChem 3
Rotatable bonds
3
TPSA (Ų)
79.1
Formal charge
0
XLogP3
-1.1 PubChem
Complexity
245 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

  • C64.69%
  • H5.92%
  • N13.72%
  • O15.67%

Isotope pattern

100%204.09013%205.0931.2%206.095

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
1.12 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-2.06 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.3 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 204.23
  • log P ≤ 5 (Crippen): 1.12
  • H-bond donors ≤ 5: 3
  • H-bond acceptors ≤ 10: 2

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: 8 company reports to ECHA. Source [2].

  • Harmful or irritant
  • H315Causes skin irritation (12.5% of reports)
  • H319Causes serious eye irritation (12.5% of reports)
  • H335May cause respiratory irritation (12.5% 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)
  • [2] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 87.5% (7 of 8) of all reports.
  • [2] European Chemicals Agency (ECHA) · 8 reports · WarningH315, H319, H335

First aid

  • Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, AbaChemScene, BLD Pharm.

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]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
  2. [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  3. [3]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  7. [7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  8. [8]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  9. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  10. ·Literature on PubChem

Data last updated 2026-10-14.