2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid

C19H20FNO3 — CID 56910155

IUPAC2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
SMILESCOc1ccc(F)cc1CN1CCC(c2ccccc2C(=O)O)C1
InChIInChI=1S/C19H20FNO3/c1-24-18-7-6-15(20)10-14(18)12-21-9-8-13(11-21)16-4-2-3-5-17(16)19(22)23/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyOWRDWSBGLLIMHJ-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.52
Rot. Bonds5

About 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid

2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid (PubChem CID 56910155) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
PubChem CID56910155
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
SMILESCOc1ccc(F)cc1CN1CCC(c2ccccc2C(=O)O)C1
InChIInChI=1S/C19H20FNO3/c1-24-18-7-6-15(20)10-14(18)12-21-9-8-13(11-21)16-4-2-3-5-17(16)19(22)23/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyOWRDWSBGLLIMHJ-UHFFFAOYSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic 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-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725201
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 99941724
2-[(3R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]benzoic acid
CID 95715201
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423608
2-[(3S)-1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725244
2-[2-[[3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 56915846
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9168063
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-fluorobenzoic acid
CID 107907906
(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
CID 133119318
(3S,4R)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
CID 56752836
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 146103415

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid?
The IUPAC name of 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid (CID 56910155) is 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid.
What is the SMILES notation for 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid?
The canonical SMILES for 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid is COc1ccc(F)cc1CN1CCC(c2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid?
The InChIKey is OWRDWSBGLLIMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-24-18-7-6-15(20)10-14(18)12-21-9-8-13(11-21)16-4-2-3-5-17(16)19(22)23/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid?
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid has a molecular weight of 329.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid is sourced from PubChem (CID 56910155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).