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

C12H18F3N3O3 — CID 120932601

IUPAC(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C12H18F3N3O3/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)/t7-,8?,9+/m1/s1
InChIKeyQFIDKYITFZZLAL-NBXIYJJMSA-N
MW309.29 g/mol
LogP-0.36
Rot. Bonds3

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

(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide (PubChem CID 120932601) has the molecular formula C12H18F3N3O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide
PubChem CID120932601
Molecular FormulaC12H18F3N3O3
Molecular Weight309.29 g/mol
Exact Mass309.13
IUPAC Name(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C12H18F3N3O3/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)/t7-,8?,9+/m1/s1
InChIKeyQFIDKYITFZZLAL-NBXIYJJMSA-N
XLogP-0.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide (CID 120932601) is (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
The InChIKey is QFIDKYITFZZLAL-NBXIYJJMSA-N. The full InChI is InChI=1S/C12H18F3N3O3/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)/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?
(2R,3S)-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-3-carboxamide has a molecular weight of 309.29 g/mol, XLogP of -0.36, 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 is sourced from PubChem (CID 120932601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).