Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCC(O)c1cccnc1- InChIKey
ZZGSNPVSIBBOKL-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
Names & identifiers
- Preferred name
- [3-Hydroxy-3-(3-pyridinyl)propyl]carbamic acid 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-(3-hydroxy-3-pyridin-3-ylpropyl)carbamate
Names & synonyms
SCHEMBL6491616ZZGSNPVSIBBOKL-UHFFFAOYSA-N[3-hydroxy-3-(3-pyridinyl)propyl]carbamic acid 1,1-dimethylethyl ester[3-hydroxy-3-(3-pyridinyl)propyl]carbamic acid, 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 69799429
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Related reactions
3 records
Compound notes
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