(2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C14H24F3N3O2 — CID 94818720

IUPAC(2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCN1CCO[C@H](CN2CCC[C@@H]2C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C14H24F3N3O2/c1-2-19-6-7-22-11(8-19)9-20-5-3-4-12(20)13(21)18-10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,21)/t11-,12+/m0/s1
InChIKeyQCCPKTMJYDMQIR-NWDGAFQWSA-N
MW323.36 g/mol
LogP0.85
Rot. Bonds5

About (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

(2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 94818720) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID94818720
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name(2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCN1CCO[C@H](CN2CCC[C@@H]2C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C14H24F3N3O2/c1-2-19-6-7-22-11(8-19)9-20-5-3-4-12(20)13(21)18-10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,21)/t11-,12+/m0/s1
InChIKeyQCCPKTMJYDMQIR-NWDGAFQWSA-N
XLogP0.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 94818720) is (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCN1CCO[C@H](CN2CCC[C@@H]2C(=O)NCC(F)(F)F)C1.
What is the InChIKey of (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is QCCPKTMJYDMQIR-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-2-19-6-7-22-11(8-19)9-20-5-3-4-12(20)13(21)18-10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,21)/t11-,12+/m0/s1.
What are the key properties of (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
(2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-4-ethylmorpholin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94818720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).