4-[2-tert-Butoxy(oxo)acetamido]benzoic acid
Basic information
- CAS
614760-53-1- Standard SMILES
CC(C)(C)OC(=O)C(=O)Nc1ccc(C(=O)O)cc1- InChIKey
NOBNEIRVDVMHAL-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- 4-[2-tert-Butoxy(oxo)acetamido]benzoic acid
- IUPAC
- 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]benzoic acid
Names & synonyms
614760-53-14-[2-tert-Butoxy(oxo)acetamido]benzoic acidSCHEMBL14076552DTXSID907304454-(2-tert-Butoxy-2-oxoacetamido)benzoic acid
Database identifiers
- CAS
614760-53-1- PubChem CID
- 58860366
- DTXSID
DTXSID90730445
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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