5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid

C19H20FNO3 — CID 99941724

IUPAC5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)O
InChIInChI=1S/C19H20FNO3/c1-24-18-7-2-13(10-17(18)19(22)23)11-21-9-8-15(12-21)14-3-5-16(20)6-4-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyNUDWANZGFVYTRI-HNNXBMFYSA-N
MW329.37 g/mol
LogP3.52
Rot. Bonds5

About 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid

5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid (PubChem CID 99941724) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
PubChem CID99941724
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)O
InChIInChI=1S/C19H20FNO3/c1-24-18-7-2-13(10-17(18)19(22)23)11-21-9-8-15(12-21)14-3-5-16(20)6-4-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyNUDWANZGFVYTRI-HNNXBMFYSA-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

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Related Compounds

5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 65339321
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 77079933
2-methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzoic acid;hydrochloride
CID 171385032
2-methoxy-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 65339609
5-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxybenzoic acid
CID 77090885
4-[(3-carboxy-4-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 56718829
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56910155
2-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725201
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
2-methoxy-5-[[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99951683
5-[[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688305

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid (CID 99941724) is 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid is COc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)O.
What is the InChIKey of 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid?
The InChIKey is NUDWANZGFVYTRI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-24-18-7-2-13(10-17(18)19(22)23)11-21-9-8-15(12-21)14-3-5-16(20)6-4-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid?
5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic 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 5-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 99941724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).