(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide

C12H19F3N4O4 — CID 124741883

IUPAC(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide
SMILESCNC(=O)[C@H]1CN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C12H19F3N4O4/c1-7(9(20)18-11(22)17-6-12(13,14)15)19-3-4-23-8(5-19)10(21)16-2/h7-8H,3-6H2,1-2H3,(H,16,21)(H2,17,18,20,22)/t7-,8-/m1/s1
InChIKeyWYRFWADKAOFNCK-HTQZYQBOSA-N
MW340.30 g/mol
LogP-0.79
Rot. Bonds4

About (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide

(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide (PubChem CID 124741883) has the molecular formula C12H19F3N4O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide
PubChem CID124741883
Molecular FormulaC12H19F3N4O4
Molecular Weight340.30 g/mol
Exact Mass340.14
IUPAC Name(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide
SMILESCNC(=O)[C@H]1CN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CCO1
InChIInChI=1S/C12H19F3N4O4/c1-7(9(20)18-11(22)17-6-12(13,14)15)19-3-4-23-8(5-19)10(21)16-2/h7-8H,3-6H2,1-2H3,(H,16,21)(H2,17,18,20,22)/t7-,8-/m1/s1
InChIKeyWYRFWADKAOFNCK-HTQZYQBOSA-N
XLogP-0.79
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide (CID 124741883) is (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide is CNC(=O)[C@H]1CN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CCO1.
What is the InChIKey of (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide?
The InChIKey is WYRFWADKAOFNCK-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H19F3N4O4/c1-7(9(20)18-11(22)17-6-12(13,14)15)19-3-4-23-8(5-19)10(21)16-2/h7-8H,3-6H2,1-2H3,(H,16,21)(H2,17,18,20,22)/t7-,8-/m1/s1.
What are the key properties of (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide?
(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide has a molecular weight of 340.30 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 124741883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).