(2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid

C13H14F3NO3 — CID 57278905

IUPAC(2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(O)(c2ccc(C(F)(F)F)cc2)CN1C(=O)O
InChIInChI=1S/C13H14F3NO3/c1-8-6-12(20,7-17(8)11(18)19)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,20H,6-7H2,1H3,(H,18,19)/t8-,12?/m1/s1
InChIKeyFIEKUOWXYLZZDF-SZSXPDSJSA-N
MW289.25 g/mol
LogP2.67
Rot. Bonds1

About (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid

(2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid (PubChem CID 57278905) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid
PubChem CID57278905
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name(2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(O)(c2ccc(C(F)(F)F)cc2)CN1C(=O)O
InChIInChI=1S/C13H14F3NO3/c1-8-6-12(20,7-17(8)11(18)19)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,20H,6-7H2,1H3,(H,18,19)/t8-,12?/m1/s1
InChIKeyFIEKUOWXYLZZDF-SZSXPDSJSA-N
XLogP2.67
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11078186, Example 45
CID 134506953
US11078186, Example 56
CID 149309349
US11078186, Example 26
CID 134499099
US11078186, Example 5
CID 134499220
US11078186, Example 12
CID 134506855
US11078186, Example 17
CID 134506856
US11078186, Example 10
CID 134506858
US11078186, Example 14
CID 134506859
US11078186, Example 8
CID 134506969
US11078186, Example 9
CID 134506972
US11078186, Example 6
CID 142754764
US11078186, Example 16
CID 146965259

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid (CID 57278905) is (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid is C[C@@H]1CC(O)(c2ccc(C(F)(F)F)cc2)CN1C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FIEKUOWXYLZZDF-SZSXPDSJSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-8-6-12(20,7-17(8)11(18)19)9-2-4-10(5-3-9)13(14,15)16/h2-5,8,20H,6-7H2,1H3,(H,18,19)/t8-,12?/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid?
(2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid has a molecular weight of 289.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57278905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).