(+-)-5-Hydroxytryptophan

C₁₁H₁₂N₂O₃CAS 72572-98-6220.23 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₁₁H₁₂N₂O₃
Molar mass: 220.23 g/mol
Exact mass: 220.0848 Da
Melting point: 298 °C (decomposes)
logP: 0.83Crippen estimate
Polar surface area: 99.3 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor33.3% of notifiers
H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

72572-98-6

SMILES

NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O

InChIKey

LDCYZAJDBXYCGN-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

12 names

(±)-5-Hydroxytryptophan
2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoicacid
Tryptophan, 5-hydroxy-
5-Hydroxytryptophan
5-Hydroxytryptophane
5-HTP
5-Hydroxy-DL-tryptophan
DL-Hydroxytryptophan
DL-5-HTP
DL-5-Hydroxytryptophan
NSC 92523
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-Hydroxytryptophan4350-09-8Defined stereoisomer (+-)-5-Hydroxytryptophan56-69-9 (+-)-5-Hydroxytryptophan114-03-4

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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