3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 67392251

IUPAC3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid
SMILESCC(C)(N)CC(=O)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-9(2,10)7-8(12)11-5-3-4-6-11;3-2(4,5)1(6)7/h3-7,10H2,1-2H3;(H,6,7)
InChIKeyGFDAEALSDIMWGO-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.37
Rot. Bonds2

About 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid

3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 67392251) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid
PubChem CID67392251
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid
SMILESCC(C)(N)CC(=O)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-9(2,10)7-8(12)11-5-3-4-6-11;3-2(4,5)1(6)7/h3-7,10H2,1-2H3;(H,6,7)
InChIKeyGFDAEALSDIMWGO-UHFFFAOYSA-N
XLogP1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid (CID 67392251) is 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid is CC(C)(N)CC(=O)N1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is GFDAEALSDIMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-9(2,10)7-8(12)11-5-3-4-6-11;3-2(4,5)1(6)7/h3-7,10H2,1-2H3;(H,6,7).
What are the key properties of 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid?
3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67392251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).