2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one

C11H19F3N2O2 — CID 112737759

IUPAC2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-3-9(15,4-2)8(17)16-6-5-10(18,7-16)11(12,13)14/h18H,3-7,15H2,1-2H3
InChIKeyNSJWGZZSYPAYBS-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one

2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 112737759) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
PubChem CID112737759
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-3-9(15,4-2)8(17)16-6-5-10(18,7-16)11(12,13)14/h18H,3-7,15H2,1-2H3
InChIKeyNSJWGZZSYPAYBS-UHFFFAOYSA-N
XLogP1.03
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one (CID 112737759) is 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one is CCC(N)(CC)C(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is NSJWGZZSYPAYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-9(15,4-2)8(17)16-6-5-10(18,7-16)11(12,13)14/h18H,3-7,15H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one?
2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 268.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 112737759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).