1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

C14H21F3N2O3 — CID 100639379

IUPAC1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCCOC1(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)CCCC1
InChIInChI=1S/C14H21F3N2O3/c1-2-22-13(5-3-4-6-13)12(21)18-10-7-11(20)19(8-10)9-14(15,16)17/h10H,2-9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQZAPDWUCRRWAPV-JTQLQIEISA-N
MW322.33 g/mol
LogP1.62
Rot. Bonds5

About 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 100639379) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID100639379
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCCOC1(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)CCCC1
InChIInChI=1S/C14H21F3N2O3/c1-2-22-13(5-3-4-6-13)12(21)18-10-7-11(20)19(8-10)9-14(15,16)17/h10H,2-9H2,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQZAPDWUCRRWAPV-JTQLQIEISA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 111520552
2-[1-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 129466521
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
(3R)-N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 96526799
N-[(1-cyclopropylcyclobutyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 71844671
5-oxo-N-(1-phenylcyclohexyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 86948605
4-[[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148866
4-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148865
5-oxo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119389668
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120888824
2-(6-bromonaphthalen-2-yl)oxy-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 99809686

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 100639379) is 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is CCOC1(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)CCCC1.
What is the InChIKey of 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is QZAPDWUCRRWAPV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-2-22-13(5-3-4-6-13)12(21)18-10-7-11(20)19(8-10)9-14(15,16)17/h10H,2-9H2,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 100639379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).