2-Cyclopentylamino-1-pyrrolidin-1-yl--2-borandihydroxy-ethanone
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Basic information
- CAS
852329-53-4- Standard SMILES
O=C(CNC1CCCC1)N1CCC[C@H]1B(O)O- InChIKey
FWAIOMYEQWSGSO-JTQLQIEISA-N- Molecular formula
- C11H21BN2O3
- Average molar mass
- 240.11 g/mol
- Monoisotopic mass
- 240.1645227
Names & identifiers
- Preferred name
- 2-Cyclopentylamino-1-pyrrolidin-1-yl--2-borandihydroxy-ethanone
- IUPAC
- [(2R)-1-[2-(cyclopentylamino)acetyl]pyrrolidin-2-yl]boronic acid
- English name
- (2S)-1-[2-(Cyclopentylamino)acetyl]pyrrolidine-2-boronic acid
- Molecular formula
- C11H21BN2O3
- Molecular weight
- 240.11
Names & synonyms
CHEMBL371429SCHEMBL7901012BDBM501716512-Cyclopentylamino-1-pyrrolidin-1-yl--2-borandihydroxy-ethanone(2S)-1-[2-(Cyclopentylamino)acetyl]pyrrolidine-2-boronic acidBoronic acid, B-[(2R)-1-[2-(cyclopentylamino)acetyl]-2-pyrrolidinyl]-
Database identifiers
- CAS
852329-53-4- PubChem CID
- 44403393
- ChEMBL
CHEMBL371429
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 470.4 · 470.4±55.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 9.72 · 9.72±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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