1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C10H17F3N2O2 — CID 55227256

IUPAC1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCN(C)CCN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14(2)5-6-15-4-3-9(7-15,8(16)17)10(11,12)13/h3-7H2,1-2H3,(H,16,17)
InChIKeyUSYSXSWIGMBJAB-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.89
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 55227256) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID55227256
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCN(C)CCN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14(2)5-6-15-4-3-9(7-15,8(16)17)10(11,12)13/h3-7H2,1-2H3,(H,16,17)
InChIKeyUSYSXSWIGMBJAB-UHFFFAOYSA-N
XLogP0.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708729
1-(3-methylbut-3-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114473180
1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709629
1-[2,2-dimethylpropyl(methyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710894
1-[2-(3-methylbutoxy)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708394
1-[(3,5-difluorophenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 105404636
1-[(1-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65213674
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 83094521
1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709828
1-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55227073
1-[(1-propylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 103573389
1-[2-(3-methylbutylamino)-2-oxoethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710888

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 55227256) is 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CN(C)CCN1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is USYSXSWIGMBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14(2)5-6-15-4-3-9(7-15,8(16)17)10(11,12)13/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55227256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).