3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid

C15H15FN2O3 — CID 119259090

IUPAC3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESO=C(Cn1ccc2ccccc21)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H15FN2O3/c16-15(14(20)21)6-8-18(10-15)13(19)9-17-7-5-11-3-1-2-4-12(11)17/h1-5,7H,6,8-10H2,(H,20,21)
InChIKeyNKBBIRKNXDDJJS-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.67
Rot. Bonds3

About 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 119259090) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID119259090
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESO=C(Cn1ccc2ccccc21)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H15FN2O3/c16-15(14(20)21)6-8-18(10-15)13(19)9-17-7-5-11-3-1-2-4-12(11)17/h1-5,7H,6,8-10H2,(H,20,21)
InChIKeyNKBBIRKNXDDJJS-UHFFFAOYSA-N
XLogP1.67
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-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

2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-indol-1-ylethanone
CID 7316989
2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 163309039
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
1-[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-indol-1-ylethanone
CID 137345766
1-[2-(2,6-dimethylphenyl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 120688249

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid (CID 119259090) is 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid is O=C(Cn1ccc2ccccc21)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NKBBIRKNXDDJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-15(14(20)21)6-8-18(10-15)13(19)9-17-7-5-11-3-1-2-4-12(11)17/h1-5,7H,6,8-10H2,(H,20,21).
What are the key properties of 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).