N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide

C14H21F3N2O2 — CID 176958842

IUPACN-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H21F3N2O2/c1-9-5-4-8-19(9)12(20)11(10-6-2-3-7-10)18-13(21)14(15,16)17/h9-11H,2-8H2,1H3,(H,18,21)/t9-,11+/m1/s1
InChIKeyIWHZRCNPHXDNGP-KOLCDFICSA-N
MW306.33 g/mol
LogP2.23
Rot. Bonds3

About N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide

N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide (PubChem CID 176958842) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
PubChem CID176958842
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC NameN-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESC[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H21F3N2O2/c1-9-5-4-8-19(9)12(20)11(10-6-2-3-7-10)18-13(21)14(15,16)17/h9-11H,2-8H2,1H3,(H,18,21)/t9-,11+/m1/s1
InChIKeyIWHZRCNPHXDNGP-KOLCDFICSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
(1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
CID 11840904
(S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402967
(S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402971
2-(4-Butyl-2-oxopyrrolidin-1-yl)butanamide
CID 9855989
2-Amino-2-cyclopentyl-1-pyrrolidin-1-yl-ethanone
CID 10058520
Proline scaffold, 9
CID 42618107
Proline scaffold, 29
CID 42618126
(S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402970
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
2-[4-(2,2-Difluoroethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9813419

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide (CID 176958842) is N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide is C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The InChIKey is IWHZRCNPHXDNGP-KOLCDFICSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-9-5-4-8-19(9)12(20)11(10-6-2-3-7-10)18-13(21)14(15,16)17/h9-11H,2-8H2,1H3,(H,18,21)/t9-,11+/m1/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide?
N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide has a molecular weight of 306.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 176958842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).