Basic information
- Standard SMILES
COC(=O)c1ccc(N)c(NCCCNC(=O)OC(C)(C)C)c1- InChIKey
UMBVGYKGAHXDBM-UHFFFAOYSA-N- Molecular formula
- C16H25N3O4
- Average molar mass
- 323.39 g/mol
Names & identifiers
- Preferred name
- Methyl 4-amino-3-({3-[(tert-butoxycarbonyl)amino]propyl}amino)benzoate
- IUPAC
- methyl 4-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]benzoate
Names & synonyms
SCHEMBL1979615UMBVGYKGAHXDBM-UHFFFAOYSA-Nmethyl 4-amino-3-({3-[(tert-butoxycarbonyl)amino]propyl}amino)benzoate
Database identifiers
- PubChem CID
- 11962077
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
10 records
Compound notes
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