2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid

C16H19NO6 — CID 15934698

IUPAC2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid
SMILESCCOC(=O)N1C(=O)C(CC)C1Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H19NO6/c1-3-12-14(20)17(16(21)22-4-2)15(12)23-11-7-5-10(6-8-11)9-13(18)19/h5-8,12,15H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyYOCKFPLVJHMVIB-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.04
Rot. Bonds6

About 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid

2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid (PubChem CID 15934698) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid
PubChem CID15934698
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid
SMILESCCOC(=O)N1C(=O)C(CC)C1Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H19NO6/c1-3-12-14(20)17(16(21)22-4-2)15(12)23-11-7-5-10(6-8-11)9-13(18)19/h5-8,12,15H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyYOCKFPLVJHMVIB-UHFFFAOYSA-N
XLogP2.04
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid (CID 15934698) is 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid is CCOC(=O)N1C(=O)C(CC)C1Oc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid?
The InChIKey is YOCKFPLVJHMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6/c1-3-12-14(20)17(16(21)22-4-2)15(12)23-11-7-5-10(6-8-11)9-13(18)19/h5-8,12,15H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid?
2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid has a molecular weight of 321.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethoxycarbonyl-3-ethyl-4-oxoazetidin-2-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 15934698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).