5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid

C14H15FN2O2 — CID 117410023

IUPAC5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc2c(F)c(C3CC(C(=O)O)CN3)ccc2[nH]1
InChIInChI=1S/C14H15FN2O2/c1-7-4-10-11(17-7)3-2-9(13(10)15)12-5-8(6-16-12)14(18)19/h2-4,8,12,16-17H,5-6H2,1H3,(H,18,19)
InChIKeyLCXCYRPAUCLSFA-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.35
Rot. Bonds2

About 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid

5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117410023) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID117410023
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc2c(F)c(C3CC(C(=O)O)CN3)ccc2[nH]1
InChIInChI=1S/C14H15FN2O2/c1-7-4-10-11(17-7)3-2-9(13(10)15)12-5-8(6-16-12)14(18)19/h2-4,8,12,16-17H,5-6H2,1H3,(H,18,19)
InChIKeyLCXCYRPAUCLSFA-UHFFFAOYSA-N
XLogP2.35
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-chloro-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117447014
5-(5-methoxy-2-methyl-1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117438401
5-(2-fluoro-4-hydroxy-3-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 117488295
5-[2-(dimethylamino)-4,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 117117053
5-(2-fluoro-4-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 117463496
5-(4-fluoro-2-hydroxy-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117390681
5-(5-fluoro-3,4-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117455307
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117361084
5-(3-chloro-5-fluoro-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117397530
5-(2-hydroxy-4,5-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117342440
5-(3-bromo-2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491074
5-(5-bromo-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117457023

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid (CID 117410023) is 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid is Cc1cc2c(F)c(C3CC(C(=O)O)CN3)ccc2[nH]1.
What is the InChIKey of 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is LCXCYRPAUCLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-7-4-10-11(17-7)3-2-9(13(10)15)12-5-8(6-16-12)14(18)19/h2-4,8,12,16-17H,5-6H2,1H3,(H,18,19).
What are the key properties of 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid?
5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 262.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methyl-1H-indol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117410023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).