3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid

C16H20F3NO2 — CID 122046240

IUPAC3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid
SMILESCC(CN1CCC(C)(C(=O)O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-11(9-20-8-7-15(2,10-20)14(21)22)12-3-5-13(6-4-12)16(17,18)19/h3-6,11H,7-10H2,1-2H3,(H,21,22)
InChIKeyAQHDNUJUCRPPRK-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.61
Rot. Bonds4

About 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid (PubChem CID 122046240) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid
PubChem CID122046240
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid
SMILESCC(CN1CCC(C)(C(=O)O)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-11(9-20-8-7-15(2,10-20)14(21)22)12-3-5-13(6-4-12)16(17,18)19/h3-6,11H,7-10H2,1-2H3,(H,21,22)
InChIKeyAQHDNUJUCRPPRK-UHFFFAOYSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046366
1-[2-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylic acid
CID 122035694
1-[2-[4-(trifluoromethyl)phenyl]propyl]azetidine-3-carboxylic acid
CID 122046781
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
(3S)-3-methyl-1-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-3-carboxylic acid
CID 124693043
(2R)-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-2-carboxylic acid
CID 122038316
1-(3-methoxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 116503311
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
(3S)-3-fluoro-3-(hydroxymethyl)-N-[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-1-carboxamide
CID 124856136
3-methyl-1-[3-(4-propan-2-ylphenyl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119256999
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid (CID 122046240) is 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid is CC(CN1CCC(C)(C(=O)O)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AQHDNUJUCRPPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-11(9-20-8-7-15(2,10-20)14(21)22)12-3-5-13(6-4-12)16(17,18)19/h3-6,11H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[4-(trifluoromethyl)phenyl]propyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122046240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).