3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid

C11H17F3N2O3 — CID 63227594

IUPAC3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-10(8(17)18)4-6-16(7-10)9(19)15-5-3-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyGPZQRENOKWDSFN-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.84
Rot. Bonds4

About 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63227594) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63227594
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-10(8(17)18)4-6-16(7-10)9(19)15-5-3-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyGPZQRENOKWDSFN-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4R)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-3-carboxylic acid
CID 90666881
(4S)-4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 155483711
(3R,4S)-4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 155573677
3-Ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55164224
1-[3-(Methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226699
1-(2-Methoxyethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226701
1-[3-(Ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226876
1-[4-(Methylamino)butanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226877
1-[Ethyl(methyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226883
1-(2-Aminoethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227070
4-Methyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55231298
1-(2,2,2-Trifluoroethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032073

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63227594) is 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GPZQRENOKWDSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-10(8(17)18)4-6-16(7-10)9(19)15-5-3-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63227594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).