3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid

C17H23NO3 — CID 118296113

IUPAC3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1cccc(OCCC2CNC2)c1)C1CC1
InChIInChI=1S/C17H23NO3/c19-17(20)9-16(13-4-5-13)14-2-1-3-15(8-14)21-7-6-12-10-18-11-12/h1-3,8,12-13,16,18H,4-7,9-11H2,(H,19,20)
InChIKeyGCSBQISNJYRGOJ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.64
Rot. Bonds8

About 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid

3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid (PubChem CID 118296113) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid
PubChem CID118296113
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)CC(c1cccc(OCCC2CNC2)c1)C1CC1
InChIInChI=1S/C17H23NO3/c19-17(20)9-16(13-4-5-13)14-2-1-3-15(8-14)21-7-6-12-10-18-11-12/h1-3,8,12-13,16,18H,4-7,9-11H2,(H,19,20)
InChIKeyGCSBQISNJYRGOJ-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoate
CID 118301957
methyl 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoate
CID 123379917
3-cyclopropyl-3-[3-[(4,4-dimethylpyrrolidin-3-yl)methoxy]phenyl]propanoic acid
CID 122684904
methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate
CID 118301888
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117440490
3-cyclopropyl-3-[3-[[2-(3-methoxyphenyl)cyclopropyl]methoxy]phenyl]propanoic acid
CID 118296149
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
(1S)-1-cyclopropyl-1-(3-phenylmethoxyphenyl)pentan-3-one
CID 147124935
(3S)-3-cyclopropyl-3-[3-[[1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-yl]methoxy]phenyl]propanoic acid
CID 118301893
3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid
CID 117424402
3-[3-[[1-[2-(2-cyclohexylethylcarbamoyl)-5-hydroxyphenyl]piperidin-4-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid
CID 134388692

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid?
The IUPAC name of 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid (CID 118296113) is 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid is O=C(O)CC(c1cccc(OCCC2CNC2)c1)C1CC1.
What is the InChIKey of 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid?
The InChIKey is GCSBQISNJYRGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-17(20)9-16(13-4-5-13)14-2-1-3-15(8-14)21-7-6-12-10-18-11-12/h1-3,8,12-13,16,18H,4-7,9-11H2,(H,19,20).
What are the key properties of 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid?
3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 118296113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).