4-[[[(2,5-Dimethyl-3-furanyl)carbonyl]amino]methyl]benzoic acid
Basic information
- CAS
1016742-16-7- Standard SMILES
Cc1cc(C(=O)NCc2ccc(C(=O)O)cc2)c(C)o1- InChIKey
BGTYFULAXZEQGM-UHFFFAOYSA-N- Molecular formula
- C15H15NO4
- Average molar mass
- 273.28 g/mol
- Monoisotopic mass
- 273.10010796
Names & identifiers
- Preferred name
- 4-[[[(2,5-Dimethyl-3-furanyl)carbonyl]amino]methyl]benzoic acid
- IUPAC
- 4-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]benzoic acid
Names & synonyms
DTXSID1011753704-[[[(2,5-Dimethyl-3-furanyl)carbonyl]amino]methyl]benzoic acidAKOS0001556861016742-16-74-{[(2,5-Dimethylfuran-3-carbonyl)amino]methyl}benzoic acid
Database identifiers
- CAS
1016742-16-7- PubChem CID
- 20116693
- DTXSID
DTXSID101175370
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…