Basic information
- Standard SMILES
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](F)C1- InChIKey
CIOITFZQTYFUOX-BDAKNGLRSA-N- Molecular formula
- C12H21FN2O3
- Average molar mass
- 260.3 g/mol
Names & identifiers
- Preferred name
- [(R)-2-((S)-3-fluoropyrrolidin-1-yl)-1-methyl-2-oxo-ethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL14737647CIOITFZQTYFUOX-BDAKNGLRSA-N[(R)-2-((S)-3-fluoropyrrolidin-1-yl)-1-methyl-2-oxo-ethyl]-carbamic acid tert-butyl ester[(R)-2-((S)-3-Fluoro-pyrrolidin-1-yl)-1-methyl-2-oxo-ethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 71279860
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
2 records
Compound notes
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