1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid

C12H19F3N2O3 — CID 106979113

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-2-4-11(10(19)20)5-3-6-17(11)7-9(18)16-8-12(13,14)15/h2-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyZPKMNOPEJVEKDA-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.38
Rot. Bonds6

About 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979113) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979113
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-2-4-11(10(19)20)5-3-6-17(11)7-9(18)16-8-12(13,14)15/h2-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyZPKMNOPEJVEKDA-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978783
1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979055
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978777
1-(2,3-dichloroprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978685
1-(3-chloro-2-methylprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106439339
1-(3-methylbut-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978657
1-[3-(methylcarbamoylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978985
1-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978859
1-(2-ethylsulfonylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978791
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
2-ethyl-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080375

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106979113) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1CC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is ZPKMNOPEJVEKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-4-11(10(19)20)5-3-6-17(11)7-9(18)16-8-12(13,14)15/h2-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).