5-phenyl-3-pyrrolidin-1-ylhexanoic acid

C16H23NO2 — CID 64526378

IUPAC5-phenyl-3-pyrrolidin-1-ylhexanoic acid
SMILESCC(CC(CC(=O)O)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(14-7-3-2-4-8-14)11-15(12-16(18)19)17-9-5-6-10-17/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,19)
InChIKeyPQZFSPUYOHGRNP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.12
Rot. Bonds6

About 5-phenyl-3-pyrrolidin-1-ylhexanoic acid

5-phenyl-3-pyrrolidin-1-ylhexanoic acid (PubChem CID 64526378) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-phenyl-3-pyrrolidin-1-ylhexanoic acid.

Molecular Properties

Compound Name5-phenyl-3-pyrrolidin-1-ylhexanoic acid
PubChem CID64526378
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name5-phenyl-3-pyrrolidin-1-ylhexanoic acid
SMILESCC(CC(CC(=O)O)N1CCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(14-7-3-2-4-8-14)11-15(12-16(18)19)17-9-5-6-10-17/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,19)
InChIKeyPQZFSPUYOHGRNP-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-3-piperidin-1-ylpentanoic acid
CID 64526249
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
3-phenylbutane-1,1-diol
CID 18417931
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate
CID 95967811
3-methyl-5-phenylhexan-2-one
CID 22898138
barium(2+);hydride;2-(2-phenylpropyl)propanedioic acid
CID 174968808
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-pyrrolidin-1-ylhexanoic acid?
The IUPAC name of 5-phenyl-3-pyrrolidin-1-ylhexanoic acid (CID 64526378) is 5-phenyl-3-pyrrolidin-1-ylhexanoic acid.
What is the SMILES notation for 5-phenyl-3-pyrrolidin-1-ylhexanoic acid?
The canonical SMILES for 5-phenyl-3-pyrrolidin-1-ylhexanoic acid is CC(CC(CC(=O)O)N1CCCC1)c1ccccc1.
What is the InChIKey of 5-phenyl-3-pyrrolidin-1-ylhexanoic acid?
The InChIKey is PQZFSPUYOHGRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(14-7-3-2-4-8-14)11-15(12-16(18)19)17-9-5-6-10-17/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,19).
What are the key properties of 5-phenyl-3-pyrrolidin-1-ylhexanoic acid?
5-phenyl-3-pyrrolidin-1-ylhexanoic acid has a molecular weight of 261.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-pyrrolidin-1-ylhexanoic acid is sourced from PubChem (CID 64526378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).