2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid

C14H18FNO3 — CID 82092193

IUPAC2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
SMILESCOc1ccc(C(CN2CCCC2)C(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c1-19-13-5-4-10(8-12(13)15)11(14(17)18)9-16-6-2-3-7-16/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyIVZZPTGIFXKDKB-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.10
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid

2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 82092193) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
PubChem CID82092193
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
SMILESCOc1ccc(C(CN2CCCC2)C(=O)O)cc1F
InChIInChI=1S/C14H18FNO3/c1-19-13-5-4-10(8-12(13)15)11(14(17)18)9-16-6-2-3-7-16/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyIVZZPTGIFXKDKB-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 94264435
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 3066416
4-(dimethylamino)-2-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 112509040
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-chloro-2-(3-fluoro-4-methoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 65101013
2-[4-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperazin-1-yl]acetic acid
CID 65055581
2-(4-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 82090555
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117245099
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
3-fluoro-4-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 86824610

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid (CID 82092193) is 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid is COc1ccc(C(CN2CCCC2)C(=O)O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is IVZZPTGIFXKDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-13-5-4-10(8-12(13)15)11(14(17)18)9-16-6-2-3-7-16/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid?
2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 82092193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).