1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C14H20F3NO3 — CID 66477222

IUPAC1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)C(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)C1(C)C
InChIInChI=1S/C14H20F3NO3/c1-11(2)8(12(11,3)4)9(19)18-6-5-13(7-18,10(20)21)14(15,16)17/h8H,5-7H2,1-4H3,(H,20,21)
InChIKeyTYGSQVFOAYJGQQ-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.53
Rot. Bonds2

About 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 66477222) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID66477222
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C)C(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)C1(C)C
InChIInChI=1S/C14H20F3NO3/c1-11(2)8(12(11,3)4)9(19)18-6-5-13(7-18,10(20)21)14(15,16)17/h8H,5-7H2,1-4H3,(H,20,21)
InChIKeyTYGSQVFOAYJGQQ-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 66477222) is 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC1(C)C(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is TYGSQVFOAYJGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-11(2)8(12(11,3)4)9(19)18-6-5-13(7-18,10(20)21)14(15,16)17/h8H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66477222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).