[2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate

C14H21F3N2O3 — CID 54311194

IUPAC[2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCCCC1)C(OC(=O)C(F)(F)F)C1CCCN1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)22-11(10-7-4-8-18-10)12(20)19-9-5-2-1-3-6-9/h9-11,18H,1-8H2,(H,19,20)
InChIKeySKZRRXIZOSEOMT-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.66
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate

[2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate (PubChem CID 54311194) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate
PubChem CID54311194
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name[2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCCCC1)C(OC(=O)C(F)(F)F)C1CCCN1
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)22-11(10-7-4-8-18-10)12(20)19-9-5-2-1-3-6-9/h9-11,18H,1-8H2,(H,19,20)
InChIKeySKZRRXIZOSEOMT-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-2-(cycloheptylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 70208709
N-cyclopentyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310113
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
CID 164654131
2-amino-N-cyclohexyl-2-sulfanylacetamide
CID 87171089
(R)-cyclopentyl-[(2S)-pyrrolidin-2-yl]methanol
CID 138485478
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane
CID 155732233
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
CID 97048112
N-cyclopentylazepane-2-carboxamide
CID 64564743

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate (CID 54311194) is [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate is O=C(NC1CCCCC1)C(OC(=O)C(F)(F)F)C1CCCN1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate?
The InChIKey is SKZRRXIZOSEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)22-11(10-7-4-8-18-10)12(20)19-9-5-2-1-3-6-9/h9-11,18H,1-8H2,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate?
[2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate has a molecular weight of 322.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 54311194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).