(±)-Tryptophan

C₁₁H₁₂N₂O₂CAS 54-12-6204.23 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₂N₂O₂
Molar mass: 204.23 g/mol
Exact mass: 204.0899 Da
Melting point: 230 °C (decomposes)
pKa: 2.3, 9.3
logP: 1.12Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation22.2% of notifiers
H319 Causes serious eye irritation22.2% of notifiers
H335 May cause respiratory irritation22.2% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

Identifiers

CAS number

54-12-6

SMILES

NC(Cc1c[nH]c2ccccc12)C(=O)O

InChIKey

QIVBCDIJIAJPQS-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

9 names

Tryptophan
Tryptophan, DL-
DL-Tryptophan
DL-α-Amino-3-indolepropionic acid
(RS)-Tryptophan
1H-Indole-3-alanine
NSC 13118
2-Amino-3-(1H-indol-3-yl)propanoic acid
2-Amino-3-(1H-indol-3-yl)-propionic acid

Work with (±)-Tryptophan

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.

Tryptophan73-22-3Defined stereoisomer D-Tryptophan153-94-6Defined stereoisomer

Similar compounds

(+-)-5-Hydroxytryptophan114-03-470 % similar 5-Hydroxytryptophan4350-09-870 % similar (+-)-5-Hydroxytryptophan56-69-970 % similar (+-)-5-Hydroxytryptophan72572-98-670 % similar Indole-3-lactic acid1821-52-969 % similar 5-Fluoro-DL-tryptophan154-08-567 % similar 6-Methyl-DL-tryptophan2280-85-567 % similar 6-Chloro-L-tryptophan33468-35-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Imidazo[1,2-A]pyridine-3-aceticacid,ethylester101820-69-3 2,3,3-Trimethyl-5-nitroindolenine3484-22-8 2PHZ61698-32-6 Nirvanol631-07-2 Ethotoin86-35-1

Elsewhere

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