Basic information
- Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)C(=O)c1cnc2ccccc2c1- InChIKey
RNSPVQXGLCHWOA-NSHDSACASA-N- Molecular formula
- C17H20N2O3
- Average molar mass
- 300.35 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl 1-oxo-1-(quinolin-3-yl)propan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-oxo-1-quinolin-3-ylpropan-2-yl]carbamate
Names & synonyms
SCHEMBL413156RNSPVQXGLCHWOA-NSHDSACASA-N(S)-tert-butyl 1-oxo-1-(quinolin-3-yl)propan-2-ylcarbamate
Database identifiers
- PubChem CID
- 59339907
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
4 records
Compound notes
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