Basic information
- Standard SMILES
COc1cccc(C(O)CCNC(=O)OC(C)(C)C)n1- InChIKey
FFPUSQWLWUWFHG-UHFFFAOYSA-N- Molecular formula
- C14H22N2O4
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.15795719
Names & identifiers
- Preferred name
- [3-Hydroxy-3-(6-methoxy-2-pyridinyl)propyl]carbamic acid 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[3-hydroxy-3-(6-methoxy-2-pyridinyl)propyl]carbamate
Names & synonyms
SCHEMBL6489210FFPUSQWLWUWFHG-UHFFFAOYSA-N[3-hydroxy-3-(6-methoxy-2-pyridinyl)propyl]carbamic acid 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 69798380
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Related reactions
2 records
Compound notes
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