tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate

C16H22N2O3 — CID 70083410

IUPACtert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate
SMILESC=Cc1ccc(OC(C(=O)OC(C)(C)C)[C@@H]2CCN2)cn1
InChIInChI=1S/C16H22N2O3/c1-5-11-6-7-12(10-18-11)20-14(13-8-9-17-13)15(19)21-16(2,3)4/h5-7,10,13-14,17H,1,8-9H2,2-4H3/t13-,14?/m0/s1
InChIKeyRYXDNVXJAYRJIH-LSLKUGRBSA-N
MW290.36 g/mol
LogP2.18
Rot. Bonds5

About tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate

tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate (PubChem CID 70083410) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate
PubChem CID70083410
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate
SMILESC=Cc1ccc(OC(C(=O)OC(C)(C)C)[C@@H]2CCN2)cn1
InChIInChI=1S/C16H22N2O3/c1-5-11-6-7-12(10-18-11)20-14(13-8-9-17-13)15(19)21-16(2,3)4/h5-7,10,13-14,17H,1,8-9H2,2-4H3/t13-,14?/m0/s1
InChIKeyRYXDNVXJAYRJIH-LSLKUGRBSA-N
XLogP2.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate?
The IUPAC name of tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate (CID 70083410) is tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate.
What is the SMILES notation for tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate?
The canonical SMILES for tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate is C=Cc1ccc(OC(C(=O)OC(C)(C)C)[C@@H]2CCN2)cn1.
What is the InChIKey of tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate?
The InChIKey is RYXDNVXJAYRJIH-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-11-6-7-12(10-18-11)20-14(13-8-9-17-13)15(19)21-16(2,3)4/h5-7,10,13-14,17H,1,8-9H2,2-4H3/t13-,14?/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate?
tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate has a molecular weight of 290.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(6-ethenyl-3-pyridinyl)oxy]acetate is sourced from PubChem (CID 70083410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).