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

C13H16FNO2 — CID 83981502

IUPAC3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FNO2/c14-11-2-1-3-12(8-11)15-7-6-10(9-15)4-5-13(16)17/h1-3,8,10H,4-7,9H2,(H,16,17)
InChIKeyDDRYMWVIBKALDU-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.52
Rot. Bonds4

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

3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid (PubChem CID 83981502) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
PubChem CID83981502
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCN(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FNO2/c14-11-2-1-3-12(8-11)15-7-6-10(9-15)4-5-13(16)17/h1-3,8,10H,4-7,9H2,(H,16,17)
InChIKeyDDRYMWVIBKALDU-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
CID 83981540
3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981305
3-[1-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981210
3-[1-(2,6-dimethylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002592
methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981517
3-[4-(3-fluorophenyl)piperazin-1-yl]propanoic acid
CID 82119624
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
3-[1-(2,3-dimethylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002593
3-[(3S)-1-[1-(3-fluorophenyl)-4-oxopyridazine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 97338910
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002587
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid (CID 83981502) is 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid is O=C(O)CCC1CCN(c2cccc(F)c2)C1.
What is the InChIKey of 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid?
The InChIKey is DDRYMWVIBKALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-2-1-3-12(8-11)15-7-6-10(9-15)4-5-13(16)17/h1-3,8,10H,4-7,9H2,(H,16,17).
What are the key properties of 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid?
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 83981502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).