(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C13H19F3N2O2 — CID 97017758

IUPAC(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)N(CC(F)(F)F)C2CC2)CC1=O
InChIInChI=1S/C13H19F3N2O2/c1-8(2)17-6-9(5-11(17)19)12(20)18(10-3-4-10)7-13(14,15)16/h8-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyHTCHZVYPGZOBOD-VIFPVBQESA-N
MW292.30 g/mol
LogP1.80
Rot. Bonds4

About (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 97017758) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID97017758
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)N(CC(F)(F)F)C2CC2)CC1=O
InChIInChI=1S/C13H19F3N2O2/c1-8(2)17-6-9(5-11(17)19)12(20)18(10-3-4-10)7-13(14,15)16/h8-10H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyHTCHZVYPGZOBOD-VIFPVBQESA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 97017758) is (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC(C)N1C[C@@H](C(=O)N(CC(F)(F)F)C2CC2)CC1=O.
What is the InChIKey of (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is HTCHZVYPGZOBOD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-8(2)17-6-9(5-11(17)19)12(20)18(10-3-4-10)7-13(14,15)16/h8-10H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97017758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).