3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid

C10H15F3N2O3 — CID 63148773

IUPAC3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-9(8(17)18)2-3-15(6-9)4-7(16)14-5-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyDNXZQJYJTKUJDP-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds4

About 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148773) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID63148773
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-9(8(17)18)2-3-15(6-9)4-7(16)14-5-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyDNXZQJYJTKUJDP-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 63148773) is 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DNXZQJYJTKUJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(8(17)18)2-3-15(6-9)4-7(16)14-5-10(11,12)13/h2-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).