Basic information
- CAS
90778-74-8- Standard SMILES
O=C(O)CNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2- InChIKey
YJGUOUOJYSSXTR-ZPUQHVIOSA-N- Molecular formula
- C14H13NO5
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.07937252
Names & identifiers
- Preferred name
- Glycine, N-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-
- IUPAC
- 2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]acetic acid
Names & synonyms
GLYCINE, N-(5-(1,3-BENZODIOXOL-5-YL)-1-OXO-2,4-PENTADIENYL)-90778-74-8RefChem:1086034N-PiperoylglycineBRN 1323921N-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)glycine5-19-07-00383 (Beilstein Handbook Reference)
Database identifiers
- CAS
90778-74-8- PubChem CID
- 6435489
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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