(2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide

C14H23F3N2O3 — CID 100675517

IUPAC(2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C[C@@H](CO)O1
InChIInChI=1S/C14H23F3N2O3/c1-9-6-19(7-11(8-20)22-9)13(21)18-12(14(15,16)17)10-4-2-3-5-10/h9-12,20H,2-8H2,1H3,(H,18,21)/t9-,11+,12-/m1/s1
InChIKeyOTLWKVILVLPTQF-ADEWGFFLSA-N
MW324.34 g/mol
LogP1.90
Rot. Bonds3

About (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide

(2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide (PubChem CID 100675517) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
PubChem CID100675517
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name(2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C[C@@H](CO)O1
InChIInChI=1S/C14H23F3N2O3/c1-9-6-19(7-11(8-20)22-9)13(21)18-12(14(15,16)17)10-4-2-3-5-10/h9-12,20H,2-8H2,1H3,(H,18,21)/t9-,11+,12-/m1/s1
InChIKeyOTLWKVILVLPTQF-ADEWGFFLSA-N
XLogP1.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide (CID 100675517) is (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)C[C@@H](CO)O1.
What is the InChIKey of (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is OTLWKVILVLPTQF-ADEWGFFLSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-9-6-19(7-11(8-20)22-9)13(21)18-12(14(15,16)17)10-4-2-3-5-10/h9-12,20H,2-8H2,1H3,(H,18,21)/t9-,11+,12-/m1/s1.
What are the key properties of (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
(2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 100675517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).