2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid

C17H19NO3 — CID 116684710

IUPAC2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(c2ccccc2)c2ccco2)C1
InChIInChI=1S/C17H19NO3/c1-12(17(19)20)14-10-18(11-14)16(15-8-5-9-21-15)13-6-3-2-4-7-13/h2-9,12,14,16H,10-11H2,1H3,(H,19,20)
InChIKeyZNEKVDWJRPYKJJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.02
Rot. Bonds5

About 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid

2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid (PubChem CID 116684710) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid
PubChem CID116684710
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(c2ccccc2)c2ccco2)C1
InChIInChI=1S/C17H19NO3/c1-12(17(19)20)14-10-18(11-14)16(15-8-5-9-21-15)13-6-3-2-4-7-13/h2-9,12,14,16H,10-11H2,1H3,(H,19,20)
InChIKeyZNEKVDWJRPYKJJ-UHFFFAOYSA-N
XLogP3.02
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(furan-2-ylmethyl)azetidin-3-yl]propanoic acid
CID 116683796
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616
2-[1-(1-pyridin-4-ylethyl)azetidin-3-yl]propanoic acid
CID 116684728
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)azetidin-3-yl]propanoic acid
CID 116682227
2-[1-[1-(furan-2-yl)propan-2-ylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683044
2-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]propanoic acid
CID 116684727
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680981
1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 3632610
(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
CID 3088964
2-[1-[1-(4-methylsulfanylphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684512
1-[furan-2-yl(phenyl)methyl]benzotriazole
CID 5142470
[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate
CID 102259545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid (CID 116684710) is 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(c2ccccc2)c2ccco2)C1.
What is the InChIKey of 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid?
The InChIKey is ZNEKVDWJRPYKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(17(19)20)14-10-18(11-14)16(15-8-5-9-21-15)13-6-3-2-4-7-13/h2-9,12,14,16H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid?
2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[furan-2-yl(phenyl)methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).