2-[3-(1H-indol-3-yl)prop-2-enoylamino]acetic acid
Basic information
- CAS
3475-68-1- Standard SMILES
O=C(O)CNC(=O)C=Cc1c[nH]c2ccccc12- InChIKey
DUIFVCFSAWHIOD-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- 2-[3-(1H-indol-3-yl)prop-2-enoylamino]acetic acid
- IUPAC
- 2-[3-(1H-indol-3-yl)prop-2-enoylamino]acetic acid
- English name
- Indole-3-acryloylglycine
- Molecular formula
- C13H12N2O3
- Molecular weight
- 244.25
Names & synonyms
SCHEMBL25299753I84690IAGindolylacryloylglycineIndole-3-acryloylglycineINDOLYL-3-ACRYLOYLGLYCINEN-(3-INDOL-3-YLACRYLOYL)GLYCINE2-(3-(1H-Indol-3-yl)acrylamido)acetic acidGlycine, N-[3-(1H-indol-3-yl)-1-oxo-2-propen-1-yl]-
Database identifiers
- CAS
3475-68-1- PubChem CID
- 188972
- DTXSID
DTXSID601045609
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 632.6 · 632.6±55.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
- FDA UNII
- 8 PP6VM8 · NEY8PP6VM8
Chemistry & industry
Additional notes
DefinitionChEBI: Indolylacryloylglycine is a N-acyl-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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