1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H15F3N2O3 — CID 63709065

IUPAC1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCCNC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-2-4-14-8(18)15-5-3-9(6-15,7(16)17)10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyFERDEULCTXTBBR-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.45
Rot. Bonds3

About 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709065) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709065
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCCNC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-2-4-14-8(18)15-5-3-9(6-15,7(16)17)10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyFERDEULCTXTBBR-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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Frequently Asked Questions

What is the IUPAC name of 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709065) is 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CCCNC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FERDEULCTXTBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-4-14-8(18)15-5-3-9(6-15,7(16)17)10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(propylcarbamoyl)-3-(trifluoromethyl)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 1-(propylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).