2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H19F3N2O3 — CID 83070765

IUPAC2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)6-5-7-17(11)10(20)16(4-2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19)
InChIKeyHHVNJKQMAGCTIT-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.32
Rot. Bonds4

About 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83070765) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83070765
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)6-5-7-17(11)10(20)16(4-2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19)
InChIKeyHHVNJKQMAGCTIT-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 83070765) is 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCN(CC(F)(F)F)C(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HHVNJKQMAGCTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)6-5-7-17(11)10(20)16(4-2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).