methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate

C11H15F3N2O5 — CID 91713191

IUPACmethyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)NCC(=O)OCC(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c1-20-10(19)16-4-2-3-7(16)9(18)15-5-8(17)21-6-11(12,13)14/h7H,2-6H2,1H3,(H,15,18)
InChIKeyHPPFDJLPCPQJBH-UHFFFAOYSA-N
MW312.24 g/mol
LogP0.44
Rot. Bonds4

About methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate

methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 91713191) has the molecular formula C11H15F3N2O5 and a molecular weight of 312.24 g/mol. Its IUPAC name is methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID91713191
Molecular FormulaC11H15F3N2O5
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC Namemethyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)NCC(=O)OCC(F)(F)F
InChIInChI=1S/C11H15F3N2O5/c1-20-10(19)16-4-2-3-7(16)9(18)15-5-8(17)21-6-11(12,13)14/h7H,2-6H2,1H3,(H,15,18)
InChIKeyHPPFDJLPCPQJBH-UHFFFAOYSA-N
XLogP0.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]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

Related Compounds

H-Ala-Gly-Pro-Ala-OMe
CID 155536309
H-Ala-Gly-Pro-Ala-Gly-OMe
CID 155536953
methyl 2-(((2S)-pyrrolidin-2-yl)formamido)acetate hydrochloride
CID 13273161
Alanylprolylglycine zwitterion
CID 11902902
H-Ala-Gly-Gly-Pro-Ala-Gly-OMe
CID 155536239
Dimethyl 1-(trifluoroacetyl)-L-prolyl-L-aspartate
CID 176468681
methyl 2-{[(2S)-pyrrolidin-2-yl]formamido}acetate
CID 11622459
Methyl prolylglycinate
CID 13273159
CID 7276370
CID 7276370
Ethyl (s)-prolylglycinate
CID 10397890
l-Pyroglutamylglycine ethyl ester
CID 18652750
Ornithyl-glycine-ethyl ester
CID 88317165

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate (CID 91713191) is methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1C(=O)NCC(=O)OCC(F)(F)F.
What is the InChIKey of methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is HPPFDJLPCPQJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O5/c1-20-10(19)16-4-2-3-7(16)9(18)15-5-8(17)21-6-11(12,13)14/h7H,2-6H2,1H3,(H,15,18).
What are the key properties of methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate?
methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 312.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91713191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).