4-({[(Tert-butoxy)carbonyl]amino}methyl)-2,6-difluorobenzoic acid
Basic information
- CAS
622847-30-7- Standard SMILES
CC(C)(C)OC(=O)NCc1cc(F)c(C(=O)O)c(F)c1- InChIKey
VCAKECMVCRPHDE-UHFFFAOYSA-N- Molecular formula
- C13H15F2NO4
- Average molar mass
- 287.26 g/mol
- Monoisotopic mass
- 287.09691428
Names & identifiers
- Preferred name
- 4-({[(Tert-butoxy)carbonyl]amino}methyl)-2,6-difluorobenzoic acid
- IUPAC
- 2,6-difluoro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
- English name
- 4-(Boc-amino)methyl-2-fluoro-benzoic acid
- Molecular formula
- C13H15F2NO4
- Molecular weight
- 287.26
Names & synonyms
622847-30-74-({[(tert-butoxy)carbonyl]amino}methyl)-2,6-difluorobenzoic acidSCHEMBL615759DTXSID501149757EN300-15896744-{[(tert-Butoxycarbonyl)amino]methyl}-2,6-difluorobenzoic acid4-[[[(1,1-Dimethylethoxy)carbonyl]amino]methyl]-2,6-difluorobenzoic acid4-(Boc-amino)methyl-2-fluoro-benzoic acid4-((tert-butoxycarbonylamino)methyl)-2-fluorobenzoic acidBenzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2,6-difluoro-
Database identifiers
- CAS
622847-30-7- PubChem CID
- 66744656
- DTXSID
DTXSID501149757
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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