tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate

C10H14F3NO4 — CID 170965096

IUPACtert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)(C(F)(F)F)CC1=O
InChIInChI=1S/C10H14F3NO4/c1-8(2,3)18-7(16)14-5-9(17,4-6(14)15)10(11,12)13/h17H,4-5H2,1-3H3
InChIKeyMORRFYPBTDUDKU-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.45
Rot. Bonds

About tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate (PubChem CID 170965096) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate
PubChem CID170965096
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Nametert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)(C(F)(F)F)CC1=O
InChIInChI=1S/C10H14F3NO4/c1-8(2,3)18-7(16)14-5-9(17,4-6(14)15)10(11,12)13/h17H,4-5H2,1-3H3
InChIKeyMORRFYPBTDUDKU-UHFFFAOYSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-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 tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate (CID 170965096) is tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)(C(F)(F)F)CC1=O.
What is the InChIKey of tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The InChIKey is MORRFYPBTDUDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-8(2,3)18-7(16)14-5-9(17,4-6(14)15)10(11,12)13/h17H,4-5H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate has a molecular weight of 269.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-oxo-4-(trifluoromethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 170965096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).