2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C13H17NO5 — CID 114102920

IUPAC2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCc1occc1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H17NO5/c1-3-10-9(4-5-18-10)12(17)14-7-13(2,8-14)19-6-11(15)16/h4-5H,3,6-8H2,1-2H3,(H,15,16)
InChIKeyDEZHHIIVWFSFLH-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.16
Rot. Bonds5

About 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 114102920) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID114102920
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCc1occc1C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H17NO5/c1-3-10-9(4-5-18-10)12(17)14-7-13(2,8-14)19-6-11(15)16/h4-5H,3,6-8H2,1-2H3,(H,15,16)
InChIKeyDEZHHIIVWFSFLH-UHFFFAOYSA-N
XLogP1.16
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 114102920) is 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CCc1occc1C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is DEZHHIIVWFSFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-3-10-9(4-5-18-10)12(17)14-7-13(2,8-14)19-6-11(15)16/h4-5H,3,6-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 114102920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).