(alphaR)-alpha-(tert-Butoxycarbonylamino)-1H-indole-3-propanal
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Basic information
- CAS
108104-79-6- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](C=O)Cc1c[nH]c2ccccc12- InChIKey
OGFJDTNJMBRBML-GFCCVEGCSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- (alphaR)-alpha-(tert-Butoxycarbonylamino)-1H-indole-3-propanal
- IUPAC
- tert-butyl N-[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]carbamate
- English name
- N-α-tert-Butoxycarbonyl-D-tryptophan
- Molecular formula
- C16H20N2O3
- Molecular weight
- 288.34
Names & synonyms
108104-79-6(alphaR)-alpha-(tert-Butoxycarbonylamino)-1H-indole-3-propanalTERT-BUTYL N-[(2R)-1-(1H-INDOL-3-YL)-3-OXOPROPAN-2-YL]CARBAMATESCHEMBL13402584(R)-tert-butyl 3-(1H-indol-3-yl)-1-oxopropan-2-ylcarbamateCarbamic acid, N-[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
108104-79-6- PubChem CID
- 13245624
- Nikkaji
- J3.368.656K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 474.1 · 474.1±40.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 11.38 · 11.38±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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