ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate

C11H14F3NO5 — CID 156703978

IUPACethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N([C@H](COC)C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO5/c1-3-20-10(18)6-4-15(9(17)8(6)16)7(5-19-2)11(12,13)14/h7,16H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyLKMSOKJJKBAWLT-SSDOTTSWSA-N
MW297.23 g/mol
LogP0.78
Rot. Bonds5

About ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate

ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate (PubChem CID 156703978) has the molecular formula C11H14F3NO5 and a molecular weight of 297.23 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate
PubChem CID156703978
Molecular FormulaC11H14F3NO5
Molecular Weight297.23 g/mol
Exact Mass297.08
IUPAC Nameethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N([C@H](COC)C(F)(F)F)C1
InChIInChI=1S/C11H14F3NO5/c1-3-20-10(18)6-4-15(9(17)8(6)16)7(5-19-2)11(12,13)14/h7,16H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyLKMSOKJJKBAWLT-SSDOTTSWSA-N
XLogP0.78
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate 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 ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate (CID 156703978) is ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N([C@H](COC)C(F)(F)F)C1.
What is the InChIKey of ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate?
The InChIKey is LKMSOKJJKBAWLT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14F3NO5/c1-3-20-10(18)6-4-15(9(17)8(6)16)7(5-19-2)11(12,13)14/h7,16H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate?
ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate has a molecular weight of 297.23 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-oxo-1-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 156703978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).