(R)-2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
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Basic information
- CAS
1029430-15-6- Standard SMILES
COc1ccc2c(C[C@@H](NC(C)=O)C(=O)O)c[nH]c2c1- InChIKey
MZMKEFNVSOYDFG-CYBMUJFWSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- (R)-2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
- IUPAC
- (2R)-2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
- English name
- (R)-2-acetaMido-3-(6-Methoxy-1H-indol-3-yl)propanoic acid
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
(R)-2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid1029430-15-6(2R)-2-ACETAMIDO-3-(6-METHOXY-1H-INDOL-3-YL)PROPANOIC ACIDCS-M0888MFCD18642862AKOS037649821CS-13725DB-247327(R)-2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoicacidD-Tryptophan, N-acetyl-6-methoxy-
Database identifiers
- CAS
1029430-15-6- PubChem CID
- 71650780
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 608.8 · 608.8±55.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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