(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride

C12H19ClF3N3O3 — CID 120932600

IUPAC(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(CC(F)(F)F)C1=O.Cl
InChIInChI=1S/C12H18F3N3O3.ClH/c1-7-9(16-3-5-21-7)10(19)17-8-2-4-18(11(8)20)6-12(13,14)15;/h7-9,16H,2-6H2,1H3,(H,17,19);1H/t7-,8?,9+;/m1./s1
InChIKeyMFEGKATUTMXYHD-DFWWGSRDSA-N
MW345.75 g/mol
LogP0.06
Rot. Bonds3

About (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120932600) has the molecular formula C12H19ClF3N3O3 and a molecular weight of 345.75 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID120932600
Molecular FormulaC12H19ClF3N3O3
Molecular Weight345.75 g/mol
Exact Mass345.11
IUPAC Name(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(CC(F)(F)F)C1=O.Cl
InChIInChI=1S/C12H18F3N3O3.ClH/c1-7-9(16-3-5-21-7)10(19)17-8-2-4-18(11(8)20)6-12(13,14)15;/h7-9,16H,2-6H2,1H3,(H,17,19);1H/t7-,8?,9+;/m1./s1
InChIKeyMFEGKATUTMXYHD-DFWWGSRDSA-N
XLogP0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride (CID 120932600) is (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NC1CCN(CC(F)(F)F)C1=O.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is MFEGKATUTMXYHD-DFWWGSRDSA-N. The full InChI is InChI=1S/C12H18F3N3O3.ClH/c1-7-9(16-3-5-21-7)10(19)17-8-2-4-18(11(8)20)6-12(13,14)15;/h7-9,16H,2-6H2,1H3,(H,17,19);1H/t7-,8?,9+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 345.75 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120932600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).