Structure Info
- Chemspace ID
- CSMB00025789414 (Enamine MADE)
- CAS
- 2137095-27-1
- MFCD
- MFCD30734744
- IUPAC Name
- 1-tert-butyl 3-chloromethyl (3R,4S)-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxylate
- Mol formula
- C15H22ClN3O4
- Mol weight
- 344 Da
- Catalog Number(s)
- BBV-110013951, CSC025789414, EN300-386705, FCH9172969
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.56
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.666
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025789414
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