N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C16H24F3N3O4 — CID 110348786

IUPACN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCN1C(=O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C16H24F3N3O4/c1-10(2)12(14(24)21-6-8-26-9-7-21)20-13(23)11-4-3-5-22(11)15(25)16(17,18)19/h10-12H,3-9H2,1-2H3,(H,20,23)/t11?,12-/m0/s1
InChIKeyJBVZEURKZXADIZ-KIYNQFGBSA-N
MW379.38 g/mol
LogP0.54
Rot. Bonds4

About N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110348786) has the molecular formula C16H24F3N3O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110348786
Molecular FormulaC16H24F3N3O4
Molecular Weight379.38 g/mol
Exact Mass379.17
IUPAC NameN-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCN1C(=O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C16H24F3N3O4/c1-10(2)12(14(24)21-6-8-26-9-7-21)20-13(23)11-4-3-5-22(11)15(25)16(17,18)19/h10-12H,3-9H2,1-2H3,(H,20,23)/t11?,12-/m0/s1
InChIKeyJBVZEURKZXADIZ-KIYNQFGBSA-N
XLogP0.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110348786) is N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CC(C)[C@H](NC(=O)C1CCCN1C(=O)C(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is JBVZEURKZXADIZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H24F3N3O4/c1-10(2)12(14(24)21-6-8-26-9-7-21)20-13(23)11-4-3-5-22(11)15(25)16(17,18)19/h10-12H,3-9H2,1-2H3,(H,20,23)/t11?,12-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110348786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).