(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid

C7H10F3NO2 — CID 129081015

IUPAC(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC[C@]1(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-11-4-2-3-6(11,5(12)13)7(8,9)10/h2-4H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyKHMRZWAWISJEBN-LURJTMIESA-N
MW197.16 g/mol
LogP1.10
Rot. Bonds1

About (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid

(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid (PubChem CID 129081015) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
PubChem CID129081015
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC[C@]1(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-11-4-2-3-6(11,5(12)13)7(8,9)10/h2-4H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyKHMRZWAWISJEBN-LURJTMIESA-N
XLogP1.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid (CID 129081015) is (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid is CN1CCC[C@]1(C(=O)O)C(F)(F)F.
What is the InChIKey of (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KHMRZWAWISJEBN-LURJTMIESA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-11-4-2-3-6(11,5(12)13)7(8,9)10/h2-4H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
(2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 129081015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).