N-Acetyl-6-hydroxytryptophan
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Basic information
- CAS
87667-59-2- Standard SMILES
CC(=O)N[C@@H](Cc1c[nH]c2cc(O)ccc12)C(=O)O- InChIKey
SRHPKORNWUUECV-LBPRGKRZSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Overview
N-Acetyl-6-hydroxytryptophan has been reported in Aspergillus nidulans with data available.
Names & identifiers
- Preferred name
- N-Acetyl-6-hydroxytryptophan
- IUPAC
- (2S)-2-acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acid
- English name
- (2S)-2-acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acid
- Molecular formula
- C13H14N2O4
- Molecular weight
- 262.26
Names & synonyms
87667-59-2N-Acetyl-6-hydroxytryptophanN-AHT(2S)-2-acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acidDTXSID00236549RefChem:162559DTXCID80159040(S)-2-Acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acidN-Acetyl-6-hydroxy-L-tryptophanSCHEMBL6728790MFCD30541870SY301808
Show more names
2-acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acid
(S)-2-Acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoicacid
Database identifiers
- CAS
87667-59-2- PubChem CID
- 137334
- DTXSID
DTXSID00236549
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 657.791 · 657.791±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.429 · 1.429±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.525 · 3.525±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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