Basic information
- Standard SMILES
COC(=O)c1cc(N)ccc1C(C)(C)C- InChIKey
PWZQVSNCSGLQLN-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
Names & identifiers
- Preferred name
- Methyl 2-tert-butyl-5-aminobenzoate
- IUPAC
- methyl 5-amino-2-tert-butylbenzoate
Names & synonyms
873056-34-9Methyl 5-amino-2-(tert-butyl)benzoatemethyl 2-tert-butyl-5-aminobenzoateMethyl 5-amino-2-(t-butyl)benzoateMFCD24644258SCHEMBL395639PWZQVSNCSGLQLN-UHFFFAOYSA-Nmethyl 5-amino-2-tert-butylbenzoateDB-326580C91660
Database identifiers
- PubChem CID
- 57470263
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
21 records
Compound notes
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