3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid

C14H19NO2 — CID 107274220

IUPAC3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid
SMILESCCC1CN(c2ccccc2CCC(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-2-11-9-15(10-11)13-6-4-3-5-12(13)7-8-14(16)17/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKeyGSJIBALSNQYPIZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.55
Rot. Bonds5

About 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid

3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid (PubChem CID 107274220) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid
PubChem CID107274220
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid
SMILESCCC1CN(c2ccccc2CCC(=O)O)C1
InChIInChI=1S/C14H19NO2/c1-2-11-9-15(10-11)13-6-4-3-5-12(13)7-8-14(16)17/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKeyGSJIBALSNQYPIZ-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 28807045
[2-(3-ethylazetidin-1-yl)phenyl]methanamine
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3-[2-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
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2-[4-(3-ethylazetidin-1-yl)phenyl]acetic acid
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3-[2-(2,5-dioxoimidazolidin-1-yl)phenyl]propanoic acid
CID 114007858
4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117410285
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
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3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propanoic acid
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4-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid (CID 107274220) is 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid is CCC1CN(c2ccccc2CCC(=O)O)C1.
What is the InChIKey of 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid?
The InChIKey is GSJIBALSNQYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11-9-15(10-11)13-6-4-3-5-12(13)7-8-14(16)17/h3-6,11H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid?
3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethylazetidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 107274220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).