methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate

C15H19NO4 — CID 11448797

IUPACmethyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C(C)C)C1c1ccc(O)cc1
InChIInChI=1S/C15H19NO4/c1-9(2)13-14(10-4-6-11(17)7-5-10)16(15(13)19)8-12(18)20-3/h4-7,9,13-14,17H,8H2,1-3H3
InChIKeyOALXWCNBCLULTJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate

methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate (PubChem CID 11448797) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate
PubChem CID11448797
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C(C)C)C1c1ccc(O)cc1
InChIInChI=1S/C15H19NO4/c1-9(2)13-14(10-4-6-11(17)7-5-10)16(15(13)19)8-12(18)20-3/h4-7,9,13-14,17H,8H2,1-3H3
InChIKeyOALXWCNBCLULTJ-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate?
The IUPAC name of methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate (CID 11448797) is methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate is COC(=O)CN1C(=O)C(C(C)C)C1c1ccc(O)cc1.
What is the InChIKey of methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate?
The InChIKey is OALXWCNBCLULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(2)13-14(10-4-6-11(17)7-5-10)16(15(13)19)8-12(18)20-3/h4-7,9,13-14,17H,8H2,1-3H3.
What are the key properties of methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate?
methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-hydroxyphenyl)-4-oxo-3-propan-2-ylazetidin-1-yl]acetate is sourced from PubChem (CID 11448797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).