1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid

C16H22FNO3 — CID 63152563

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCOc2ccccc2F)C1
InChIInChI=1S/C16H22FNO3/c1-2-7-16(15(19)20)8-9-18(12-16)10-11-21-14-6-4-3-5-13(14)17/h3-6H,2,7-12H2,1H3,(H,19,20)
InChIKeyOQJIXMBTHBQCMR-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.78
Rot. Bonds7

About 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid

1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63152563) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63152563
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCOc2ccccc2F)C1
InChIInChI=1S/C16H22FNO3/c1-2-7-16(15(19)20)8-9-18(12-16)10-11-21-14-6-4-3-5-13(14)17/h3-6H,2,7-12H2,1H3,(H,19,20)
InChIKeyOQJIXMBTHBQCMR-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148363
1-[2-(4-bromophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152611
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148518
1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82087901
1-(3-phenylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068754
1-[2-(2-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136958
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
1-(3-phenylprop-2-ynyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148622
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
1-[(3-fluoro-4-methylphenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068611
1-(2-phenylsulfanylethyl)-4-propylpiperidine-4-carboxylic acid
CID 79228801
1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 103410884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63152563) is 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCOc2ccccc2F)C1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is OQJIXMBTHBQCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-2-7-16(15(19)20)8-9-18(12-16)10-11-21-14-6-4-3-5-13(14)17/h3-6H,2,7-12H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 295.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63152563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).