[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate

C11H13NO3 — CID 131531579

IUPAC[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate
SMILESCC(=O)Oc1ccc([C@@H]2CCN2)cc1O
InChIInChI=1S/C11H13NO3/c1-7(13)15-11-3-2-8(6-10(11)14)9-4-5-12-9/h2-3,6,9,12,14H,4-5H2,1H3/t9-/m0/s1
InChIKeyHYYMUHBZVOERKE-VIFPVBQESA-N
MW207.23 g/mol
LogP1.35
Rot. Bonds2

About [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate

[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate (PubChem CID 131531579) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate
PubChem CID131531579
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate
SMILESCC(=O)Oc1ccc([C@@H]2CCN2)cc1O
InChIInChI=1S/C11H13NO3/c1-7(13)15-11-3-2-8(6-10(11)14)9-4-5-12-9/h2-3,6,9,12,14H,4-5H2,1H3/t9-/m0/s1
InChIKeyHYYMUHBZVOERKE-VIFPVBQESA-N
XLogP1.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate?
The IUPAC name of [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate (CID 131531579) is [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate.
What is the SMILES notation for [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate?
The canonical SMILES for [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate is CC(=O)Oc1ccc([C@@H]2CCN2)cc1O.
What is the InChIKey of [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate?
The InChIKey is HYYMUHBZVOERKE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(13)15-11-3-2-8(6-10(11)14)9-4-5-12-9/h2-3,6,9,12,14H,4-5H2,1H3/t9-/m0/s1.
What are the key properties of [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate?
[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate has a molecular weight of 207.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate is sourced from PubChem (CID 131531579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).