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

C10H15F3N2O3 — CID 63227593

IUPAC3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-9(7(16)17)3-5-15(6-9)8(18)14-4-2-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyWUPNEXOFJQVIAD-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.45
Rot. Bonds3

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

3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63227593) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63227593
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-9(7(16)17)3-5-15(6-9)8(18)14-4-2-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyWUPNEXOFJQVIAD-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009606
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55150644
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-(3-Aminobutanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226700
1-(2-Methoxyethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226701
1-(Prop-2-enylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226874
1-[2-(Ethylamino)acetyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226875
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63227593) is 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WUPNEXOFJQVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(7(16)17)3-5-15(6-9)8(18)14-4-2-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63227593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).