3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid

C15H21NO2 — CID 79687883

IUPAC3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid
SMILESCCCC1CN(C(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-2-6-12-10-16(11-12)14(9-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,17,18)
InChIKeyWPMMAJAPRJREFK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.93
Rot. Bonds6

About 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid

3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid (PubChem CID 79687883) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid
PubChem CID79687883
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid
SMILESCCCC1CN(C(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-2-6-12-10-16(11-12)14(9-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,17,18)
InChIKeyWPMMAJAPRJREFK-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
CID 79687022
3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63068810
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 63161254
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenylpropanoic acid
CID 63067293
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropanoic acid
CID 63066913
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
2-[1-[1-(4-methylphenyl)propyl]azetidin-3-yl]acetic acid
CID 65069237
3-(2-azaspiro[3.5]nonan-2-yl)-3-phenylpropanoic acid
CID 79687147
3-amino-3-phenyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 112702989
(3R)-3-[4-[(1R)-3-oxo-1,3-diphenylpropyl]piperazin-1-yl]-1,3-diphenylpropan-1-one
CID 51617866

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid?
The IUPAC name of 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid (CID 79687883) is 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid.
What is the SMILES notation for 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid?
The canonical SMILES for 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid is CCCC1CN(C(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid?
The InChIKey is WPMMAJAPRJREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-6-12-10-16(11-12)14(9-15(17)18)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,17,18).
What are the key properties of 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid?
3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid is sourced from PubChem (CID 79687883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).