5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid

C14H13F3N2O2 — CID 117480696

IUPAC5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3[nH]c(C(F)(F)F)cc3c2)C1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)12-5-8-3-7(1-2-10(8)19-12)11-4-9(6-18-11)13(20)21/h1-3,5,9,11,18-19H,4,6H2,(H,20,21)
InChIKeyGLWSXDYIMDBOFW-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.92
Rot. Bonds2

About 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid

5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid (PubChem CID 117480696) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid
PubChem CID117480696
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc3[nH]c(C(F)(F)F)cc3c2)C1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)12-5-8-3-7(1-2-10(8)19-12)11-4-9(6-18-11)13(20)21/h1-3,5,9,11,18-19H,4,6H2,(H,20,21)
InChIKeyGLWSXDYIMDBOFW-UHFFFAOYSA-N
XLogP2.92
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117464706
5-isoquinolin-7-ylpyrrolidine-3-carboxylic acid
CID 117357640
5-(4-fluoro-3-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 117463493
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117431127
5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid
CID 117457954
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
5-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117117066

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid (CID 117480696) is 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc3[nH]c(C(F)(F)F)cc3c2)C1.
What is the InChIKey of 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is GLWSXDYIMDBOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)12-5-8-3-7(1-2-10(8)19-12)11-4-9(6-18-11)13(20)21/h1-3,5,9,11,18-19H,4,6H2,(H,20,21).
What are the key properties of 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid?
5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-1H-indol-5-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117480696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).