2-(2-t-Butoxycarbonylaminoethoxy)-4-methylsulfonylbenzoic acid
Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCOc1cc(S(C)(=O)=O)ccc1C(=O)O- InChIKey
DMMOGJASCBEVRK-UHFFFAOYSA-N- Molecular formula
- C15H21NO7S
- Average molar mass
- 359.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-t-Butoxycarbonylaminoethoxy)-4-methylsulfonylbenzoic acid
- IUPAC
- 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-4-methylsulfonylbenzoic acid
Names & synonyms
SCHEMBL4277598DMMOGJASCBEVRK-UHFFFAOYSA-N2-(2-t-Butoxycarbonylaminoethoxy)-4-methylsulfonyl-benzoic acid2-(2-t-butoxycarbonylaminoethoxy)-4-methylsulfonylbenzoic acid
Database identifiers
- PubChem CID
- 57936628
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 547
Related reactions
4 records
Compound notes
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