chempirical

N-Acetyl-DL-tryptophan

C13H14N2O3CAS 87-32-1246.27 g/mol

Open in Covalent MOL file
ONHNHOOH
Carboxylic acid

Properties

Molecular formula
C13H14N2O3
Molar mass
246.27 g/mol
Exact mass
246.1004 Da
Melting point
205–206 °C
logP
2.14Crippen estimate
Polar surface area
85.7 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 42 ECHA notifiers. Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
87-32-1
SMILES
CC(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
DZTHIGRZJZPRDV-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

11 names
  • Tryptophan, N-acetyl-
  • Tryptophan, N-acetyl-, DL-
  • DL-Tryptophan, N-acetyl-
  • N-Acetyltryptophan
  • Dl-α-Acetylamino-3-indolepropionic acid
  • DL-Acetyltryptophan
  • DL-N-Acetyltryptophan
  • Acetyl-DL-tryptophan
  • (RS)-N-Acetyltryptophan
  • NSC 49124
  • 2-Acetamido-3-(1H-indol-3-yl)propanoic acid

Work with N-Acetyl-DL-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.

Acetyl-L-tryptophan1218-34-4Defined stereoisomer N-Acetyl-D-tryptophan2280-01-5Defined stereoisomer

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