3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid

C16H22FNO2 — CID 114834840

IUPAC3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
SMILESCC(Cc1ccccc1F)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C16H22FNO2/c1-12(10-14-4-2-3-5-15(14)17)18-9-8-13(11-18)6-7-16(19)20/h2-5,12-13H,6-11H2,1H3,(H,19,20)
InChIKeyNJMJOLPJFHVNAD-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.94
Rot. Bonds6

About 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid

3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid (PubChem CID 114834840) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
PubChem CID114834840
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
SMILESCC(Cc1ccccc1F)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C16H22FNO2/c1-12(10-14-4-2-3-5-15(14)17)18-9-8-13(11-18)6-7-16(19)20/h2-5,12-13H,6-11H2,1H3,(H,19,20)
InChIKeyNJMJOLPJFHVNAD-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
3-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 107711629
1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
CID 30980260
N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
CID 115496186
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
CID 30980084
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
CID 114832318
3-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072375

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid (CID 114834840) is 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid is CC(Cc1ccccc1F)N1CCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid?
The InChIKey is NJMJOLPJFHVNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(10-14-4-2-3-5-15(14)17)18-9-8-13(11-18)6-7-16(19)20/h2-5,12-13H,6-11H2,1H3,(H,19,20).
What are the key properties of 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid?
3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid has a molecular weight of 279.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 114834840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).