chempirical

5-Hydroxytryptophan

C11H12N2O3CAS 4350-09-8220.23 g/mol

Open in Covalent MOL file
H2NNHOHOOH
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C11H12N2O3
Molar mass
220.23 g/mol
Exact mass
220.0848 Da
Melting point
273 °C (decomposes)
Water solubility
slightly soluble
logP
0.83Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 112 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4350-09-8
SMILES
N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChIKey
LDCYZAJDBXYCGN-VIFPVBQESA-N
InChI
InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all
  • L-Tryptophan, 5-hydroxy-
  • Tryptophan, 5-hydroxy-, L-
  • 5-Hydroxy-L-tryptophan
  • L-5-Hydroxytryptophan
  • 5-Hydroxyl-L-tryptophan
  • Pretonine
  • Quietim
  • Oxitriptan
  • Triptene
  • Levotinine
  • Telesol
  • Tript-oh
  • Levothym
  • Oxyfan
  • Serotonyl
  • Cincofarm
  • L-5-HTP
  • (S)-5-Hydroxytryptophan
  • (2S)-2-Azaniumyl-3-(5-hydroxy-1H-indol-3-yl)propanoate
  • (2S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
  • (S)-2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

Work with 5-Hydroxytryptophan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+-)-5-Hydroxytryptophan56-69-9Stereo not defined (+-)-5-Hydroxytryptophan114-03-4Stereo not defined (+-)-5-Hydroxytryptophan72572-98-6Stereo not defined

Similar compounds

5-Bromo-DL-tryptophan6548-09-078 % similar 5-Fluoro-DL-tryptophan154-08-574 % similar 5-Methyl-DL-tryptophan951-55-374 % similar 5-Methoxy-DL-tryptophan28052-84-871 % similar D-Tryptophan153-94-670 % similar (±)-Tryptophan54-12-670 % similar Tryptophan73-22-370 % similar 5-(Phenylmethoxy)tryptophan6383-70-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Oxo-1-benzimidazolinebutyric acid3273-68-5 trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone33224-01-0 1-(4-Nitrophenyl)piperidin-2-one38560-30-4

Elsewhere

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