Alanine, N-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-2-methyl-
Basic information
- CAS
90778-76-0- Standard SMILES
CC(C)(NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2)C(=O)O- InChIKey
MRCJNZXCAHHFIB-GGWOSOGESA-N- Molecular formula
- C16H17NO5
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.11067264
Names & identifiers
- Preferred name
- Alanine, N-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-2-methyl-
- IUPAC
- 2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-2-methylpropanoic acid
Names & synonyms
90778-76-0ALANINE, N-(5-(1,3-BENZODIOXOL-5-YL)-1-OXO-2,4-PENTADIENYL)-2-METHYL-RefChem:1076298N-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-2-methylalanine
Database identifiers
- CAS
90778-76-0- PubChem CID
- 6435490
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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