(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide

C12H19F3N2O3 — CID 95787872

IUPAC(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide
SMILESCC(C)[C@H](C(=O)NC[C@@H](O)C(F)(F)F)N1CCCC1=O
InChIInChI=1S/C12H19F3N2O3/c1-7(2)10(17-5-3-4-9(17)19)11(20)16-6-8(18)12(13,14)15/h7-8,10,18H,3-6H2,1-2H3,(H,16,20)/t8-,10-/m1/s1
InChIKeyUXADPQYSFQHTFQ-PSASIEDQSA-N
MW296.29 g/mol
LogP0.67
Rot. Bonds5

About (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide

(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide (PubChem CID 95787872) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide
PubChem CID95787872
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide
SMILESCC(C)[C@H](C(=O)NC[C@@H](O)C(F)(F)F)N1CCCC1=O
InChIInChI=1S/C12H19F3N2O3/c1-7(2)10(17-5-3-4-9(17)19)11(20)16-6-8(18)12(13,14)15/h7-8,10,18H,3-6H2,1-2H3,(H,16,20)/t8-,10-/m1/s1
InChIKeyUXADPQYSFQHTFQ-PSASIEDQSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide?
The IUPAC name of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide (CID 95787872) is (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide?
The canonical SMILES for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide is CC(C)[C@H](C(=O)NC[C@@H](O)C(F)(F)F)N1CCCC1=O.
What is the InChIKey of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide?
The InChIKey is UXADPQYSFQHTFQ-PSASIEDQSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-7(2)10(17-5-3-4-9(17)19)11(20)16-6-8(18)12(13,14)15/h7-8,10,18H,3-6H2,1-2H3,(H,16,20)/t8-,10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide?
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide has a molecular weight of 296.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]butanamide is sourced from PubChem (CID 95787872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).