Basic information
- Standard SMILES
COC(=O)c1cccc(C(C)NC(=O)OC(C)(C)C)c1- InChIKey
LHBYVPLPLFCESM-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(1-((tert-butoxycarbonyl)amino)ethyl)benzoate
- IUPAC
- methyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
Names & synonyms
Methyl 3-(1-((tert-butoxycarbonyl)amino)ethyl)benzoate1027256-76-3methyl 3-{1-[(tert-butoxycarbonyl)amino]ethyl}benzoateSCHEMBL3473488LHBYVPLPLFCESM-UHFFFAOYSA-NJPMTWOPHARM JPM2-10408CS-0161274D85957F547697methyl 3-[1-(tert-butoxycarbonylamino)ethyl]benzoatemethyl 3-(1-{[(tert-butoxy)carbonyl]amino}ethyl)benzoatemethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
Database identifiers
- PubChem CID
- 68656133
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
3 records
Compound notes
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