1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C10H15F3N2O3 — CID 119909397

IUPAC1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-14(6-10(11,12)13)8(16)5-15-4-2-3-7(15)9(17)18/h7H,2-6H2,1H3,(H,17,18)
InChIKeyXKEWOFFIBIURIT-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.56
Rot. Bonds4

About 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119909397) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID119909397
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)CN1CCCC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-14(6-10(11,12)13)8(16)5-15-4-2-3-7(15)9(17)18/h7H,2-6H2,1H3,(H,17,18)
InChIKeyXKEWOFFIBIURIT-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119909397) is 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is CN(CC(F)(F)F)C(=O)CN1CCCC1C(=O)O.
What is the InChIKey of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XKEWOFFIBIURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-14(6-10(11,12)13)8(16)5-15-4-2-3-7(15)9(17)18/h7H,2-6H2,1H3,(H,17,18).
What are the key properties of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119909397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).