chempirical

N-Acetyl-D-tryptophan

C13H14N2O3CAS 2280-01-5246.27 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
180–181 °C
logP
2.14Crippen estimate
Polar surface area
85.7 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2280-01-5
SMILES
CC(O)=N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
DZTHIGRZJZPRDV-GFCCVEGCSA-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-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • D-Tryptophan, N-acetyl-
  • Tryptophan, N-acetyl-, D-
  • N-Acetyl-(R)-tryptophan
  • (R)-N-Acetyltryptophan
  • (2R)-2-Acetamido-3-(1H-indol-3-yl)propanoic acid

Work with N-Acetyl-D-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-tryptophan1218-34-4Enantiomer 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

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