2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid

C12H14FNO2 — CID 68764013

IUPAC2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC(F)C1
InChIInChI=1S/C12H14FNO2/c13-10-6-7-14(8-10)11(12(15)16)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)
InChIKeyZLAKPURGNBLUCC-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.86
Rot. Bonds3

About 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid

2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid (PubChem CID 68764013) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
PubChem CID68764013
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC(F)C1
InChIInChI=1S/C12H14FNO2/c13-10-6-7-14(8-10)11(12(15)16)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)
InChIKeyZLAKPURGNBLUCC-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic 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

(1S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-phenylbutan-2-one
CID 67725215
(1S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-phenyl-3-sulfanylbutan-2-one
CID 129213468
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride
CID 89077825
1-methyl-4-phenylpiperidine;(2R)-2-phenyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142020821
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetic acid
CID 66391933
2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride
CID 118798723
1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
CID 70896720
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetic acid
CID 124704828

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid (CID 68764013) is 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid?
The InChIKey is ZLAKPURGNBLUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-6-7-14(8-10)11(12(15)16)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16).
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid?
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid has a molecular weight of 223.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 68764013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).