2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid

C17H17FN2O2 — CID 136550171

IUPAC2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-5-3-12(4-6-15)16(17(21)22)20-9-7-14(11-20)13-2-1-8-19-10-13/h1-6,8,10,14,16H,7,9,11H2,(H,21,22)
InChIKeyRNZHTPPFCLTASP-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.84
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid

2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid (PubChem CID 136550171) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid
PubChem CID136550171
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-5-3-12(4-6-15)16(17(21)22)20-9-7-14(11-20)13-2-1-8-19-10-13/h1-6,8,10,14,16H,7,9,11H2,(H,21,22)
InChIKeyRNZHTPPFCLTASP-UHFFFAOYSA-N
XLogP2.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-phenylpiperidine;(2R)-2-phenyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142020821
amino-(4-pyridin-3-ylpiperidin-1-yl)methanol
CID 145342112
2-pyridin-3-yl-2-(4-thiophen-3-ylpiperidin-1-yl)acetic acid
CID 136550647
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
2-(6-cyclopropyl-1,4-oxazepan-4-yl)-2-(4-fluorophenyl)acetic acid
CID 155956084
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
(2S)-2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 25418490
2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 121267335
(2S)-N-cyclopropyl-2-phenyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95298740
(2R)-N-cyclopropyl-2-phenyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 98755732
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid (CID 136550171) is 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid is O=C(O)C(c1ccc(F)cc1)N1CCC(c2cccnc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid?
The InChIKey is RNZHTPPFCLTASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-5-3-12(4-6-15)16(17(21)22)20-9-7-14(11-20)13-2-1-8-19-10-13/h1-6,8,10,14,16H,7,9,11H2,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid?
2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid has a molecular weight of 300.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 136550171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).