Acetyl-L-tryptophan

C₁₃H₁₄N₂O₃CAS 1218-34-4246.27 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₃H₁₄N₂O₃
Molar mass: 246.27 g/mol
Exact mass: 246.1004 Da
Melting point: 185–186 °C
logP: 2.14Crippen estimate
Polar surface area: 85.7 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1218-34-4

SMILES

CC(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

InChIKey

DZTHIGRZJZPRDV-LBPRGKRZSA-N

InChI

InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1

Weigh it out

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

Names and synonyms

9 names

L-Tryptophan, N-acetyl-
Tryptophan, N-acetyl-, L-
N-Acetyl-L-tryptophan
Acetyltryptophan
N-Acetyltryptophan
(S)-N-Acetyltryptophan
L-N-Acetyltryptophan
NSC 90726
(2S)-2-Acetamido-3-(1H-indol-3-yl)propanoic acid

Work with Acetyl-L-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.

N-Acetyl-D-tryptophan2280-01-5Enantiomer N-Acetyl-DL-tryptophan87-32-1Stereo not defined

Similar compounds

N-Acetyl-L-tryptophanamide2382-79-871 % similar N-Acetyl-L-tryptophan ethyl ester2382-80-170 % similar Glycyl-L-tryptophan2390-74-169 % similar N-(2-Chloroacetyl)-L-tryptophan64709-57-569 % similar Ala-trp16305-75-268 % similar N-tert-Butoxycarbonyl-L-tryptophan13139-14-567 % similar tert-Butoxycarbonyl-D-tryptophan5241-64-567 % similar N-(Benzyloxycarbonyl)-DL-tryptophan13058-16-764 % similar

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

Same formula

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile58632-95-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook