(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C13H17F3N4O2 — CID 95322021

IUPAC(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H17F3N4O2/c1-9(5-19-3-2-17-8-19)18-12(22)10-4-11(21)20(6-10)7-13(14,15)16/h2-3,8-10H,4-7H2,1H3,(H,18,22)/t9-,10-/m1/s1
InChIKeyOHAIWPFEVTZRPN-NXEZZACHSA-N
MW318.30 g/mol
LogP0.80
Rot. Bonds5

About (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 95322021) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID95322021
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H17F3N4O2/c1-9(5-19-3-2-17-8-19)18-12(22)10-4-11(21)20(6-10)7-13(14,15)16/h2-3,8-10H,4-7H2,1H3,(H,18,22)/t9-,10-/m1/s1
InChIKeyOHAIWPFEVTZRPN-NXEZZACHSA-N
XLogP0.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 95322021) is (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is OHAIWPFEVTZRPN-NXEZZACHSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-9(5-19-3-2-17-8-19)18-12(22)10-4-11(21)20(6-10)7-13(14,15)16/h2-3,8-10H,4-7H2,1H3,(H,18,22)/t9-,10-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95322021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).