[(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate

C8H11F3N2O3 — CID 66757062

IUPAC[(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate
SMILESC[C@H]1CC[C@@H](C(N)=O)N1OC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c1-4-2-3-5(6(12)14)13(4)16-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H2,12,14)/t4-,5-/m0/s1
InChIKeyKAEMOUCDSLOJOM-WHFBIAKZSA-N
MW240.18 g/mol
LogP0.35
Rot. Bonds2

About [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate

[(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 66757062) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID66757062
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name[(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate
SMILESC[C@H]1CC[C@@H](C(N)=O)N1OC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c1-4-2-3-5(6(12)14)13(4)16-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H2,12,14)/t4-,5-/m0/s1
InChIKeyKAEMOUCDSLOJOM-WHFBIAKZSA-N
XLogP0.35
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate (CID 66757062) is [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate is C[C@H]1CC[C@@H](C(N)=O)N1OC(=O)C(F)(F)F.
What is the InChIKey of [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is KAEMOUCDSLOJOM-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-4-2-3-5(6(12)14)13(4)16-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H2,12,14)/t4-,5-/m0/s1.
What are the key properties of [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate?
[(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 240.18 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2-carbamoyl-5-methylpyrrolidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 66757062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).