5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid

C15H20FNO2 — CID 129398261

IUPAC5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c16-13-6-3-5-12(11-13)14-7-4-10-17(14)9-2-1-8-15(18)19/h3,5-6,11,14H,1-2,4,7-10H2,(H,18,19)/t14-/m1/s1
InChIKeyNLCXJGNYORLVAR-CQSZACIVSA-N
MW265.33 g/mol
LogP3.22
Rot. Bonds6

About 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid

5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid (PubChem CID 129398261) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
PubChem CID129398261
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
SMILESO=C(O)CCCCN1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c16-13-6-3-5-12(11-13)14-7-4-10-17(14)9-2-1-8-15(18)19/h3,5-6,11,14H,1-2,4,7-10H2,(H,18,19)/t14-/m1/s1
InChIKeyNLCXJGNYORLVAR-CQSZACIVSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid
CID 124608405
3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47058227
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514
1-[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 56815905
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
4-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124564407
3-[(2S,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]propanoic acid
CID 124694167
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
CID 56889121
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 71940009
5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
CID 110923856

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid?
The IUPAC name of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid (CID 129398261) is 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid is O=C(O)CCCCN1CCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid?
The InChIKey is NLCXJGNYORLVAR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-6-3-5-12(11-13)14-7-4-10-17(14)9-2-1-8-15(18)19/h3,5-6,11,14H,1-2,4,7-10H2,(H,18,19)/t14-/m1/s1.
What are the key properties of 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid?
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 129398261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).