methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate

C12H17F3N2O4 — CID 61383623

IUPACmethyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O4/c1-3-16(6-10(19)21-2)11(20)8-4-9(18)17(5-8)7-12(13,14)15/h8H,3-7H2,1-2H3
InChIKeyARPFSOFQCOFFGK-UHFFFAOYSA-N
MW310.27 g/mol
LogP0.42
Rot. Bonds5

About methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate

methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate (PubChem CID 61383623) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate
PubChem CID61383623
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Namemethyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C12H17F3N2O4/c1-3-16(6-10(19)21-2)11(20)8-4-9(18)17(5-8)7-12(13,14)15/h8H,3-7H2,1-2H3
InChIKeyARPFSOFQCOFFGK-UHFFFAOYSA-N
XLogP0.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate (CID 61383623) is methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate is CCN(CC(=O)OC)C(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate?
The InChIKey is ARPFSOFQCOFFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c1-3-16(6-10(19)21-2)11(20)8-4-9(18)17(5-8)7-12(13,14)15/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate?
methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate has a molecular weight of 310.27 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 61383623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).