Basic information
- Standard SMILES
COC(=O)c1ccc(CCCCNC(=O)OC(C)(C)C)cc1- InChIKey
LELQNMGIDHNOMM-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-tert-Butoxycarbonylaminobutyl)benzoic acid methyl ester
- IUPAC
- methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
Names & synonyms
SCHEMBL2333929LELQNMGIDHNOMM-UHFFFAOYSA-N4-(4-tert-Butoxycarbonylaminobutyl)benzoic acid methyl ester
Database identifiers
- PubChem CID
- 67367489
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Related reactions
3 records
Compound notes
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