5-(3-phenylazetidin-1-yl)hexanoic acid

C15H21NO2 — CID 82848109

IUPAC5-(3-phenylazetidin-1-yl)hexanoic acid
SMILESCC(CCCC(=O)O)N1CC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-12(6-5-9-15(17)18)16-10-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyNUIZYDIBFQSJTP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.73
Rot. Bonds6

About 5-(3-phenylazetidin-1-yl)hexanoic acid

5-(3-phenylazetidin-1-yl)hexanoic acid (PubChem CID 82848109) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(3-phenylazetidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name5-(3-phenylazetidin-1-yl)hexanoic acid
PubChem CID82848109
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-(3-phenylazetidin-1-yl)hexanoic acid
SMILESCC(CCCC(=O)O)N1CC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-12(6-5-9-15(17)18)16-10-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyNUIZYDIBFQSJTP-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]hexanoic acid
CID 163404269
5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid
CID 82846688
3-phenyl-1-propan-2-ylazetidine
CID 23628
5-(1,3-dioxoisoindol-2-yl)hexanoic acid
CID 15847422
2-methyl-4-(3-phenylazetidin-1-yl)butanoic acid
CID 80541167
5-bromo-5-phenylpentanoic acid
CID 174858341
4-methyl-2-(3-phenylazetidin-1-yl)pentan-1-ol
CID 104549262
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
1-(3-phenylazetidin-1-yl)propan-2-amine
CID 79678863
benzoic acid;bis(5-methylhexanoic acid)
CID 68983380
5-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 23174647
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylazetidin-1-yl)hexanoic acid?
The IUPAC name of 5-(3-phenylazetidin-1-yl)hexanoic acid (CID 82848109) is 5-(3-phenylazetidin-1-yl)hexanoic acid.
What is the SMILES notation for 5-(3-phenylazetidin-1-yl)hexanoic acid?
The canonical SMILES for 5-(3-phenylazetidin-1-yl)hexanoic acid is CC(CCCC(=O)O)N1CC(c2ccccc2)C1.
What is the InChIKey of 5-(3-phenylazetidin-1-yl)hexanoic acid?
The InChIKey is NUIZYDIBFQSJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(6-5-9-15(17)18)16-10-14(11-16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 5-(3-phenylazetidin-1-yl)hexanoic acid?
5-(3-phenylazetidin-1-yl)hexanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylazetidin-1-yl)hexanoic acid is sourced from PubChem (CID 82848109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).