(4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H23F3N2O3 — CID 129358208

IUPAC(4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(C)(C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1
InChIInChI=1S/C15H23F3N2O3/c1-14(2,3)11-8-19(4-5-23-11)13(22)10-6-12(21)20(7-10)9-15(16,17)18/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyDHJWFPRZWNCDNR-QWRGUYRKSA-N
MW336.35 g/mol
LogP1.67
Rot. Bonds2

About (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 129358208) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID129358208
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name(4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC(C)(C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1
InChIInChI=1S/C15H23F3N2O3/c1-14(2,3)11-8-19(4-5-23-11)13(22)10-6-12(21)20(7-10)9-15(16,17)18/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyDHJWFPRZWNCDNR-QWRGUYRKSA-N
XLogP1.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[(4R)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808600
(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124698826
4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 119403234
5-methyl-1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 122118625
(4S)-4-[(3S)-3-(methoxymethyl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96534782
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66083143
(3S)-3-methyl-1-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698086
(4S)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 52693151
(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-1,4-diazepan-2-one
CID 62897940
3-[(3S)-1-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124700202
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 55604569

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 129358208) is (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC(C)(C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CCO1.
What is the InChIKey of (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is DHJWFPRZWNCDNR-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-14(2,3)11-8-19(4-5-23-11)13(22)10-6-12(21)20(7-10)9-15(16,17)18/h10-11H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 336.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 129358208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).