[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate

C13H15NO4 — CID 163821924

IUPAC[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate
SMILESO=C(ON1CCO[C@]2(CC2O)C1)c1ccccc1
InChIInChI=1S/C13H15NO4/c15-11-8-13(11)9-14(6-7-17-13)18-12(16)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11?,13-/m1/s1
InChIKeyNWDMPNRVFUOTFB-GLGOKHISSA-N
MW249.27 g/mol
LogP0.59
Rot. Bonds2

About [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate

[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate (PubChem CID 163821924) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate.

Molecular Properties

Compound Name[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate
PubChem CID163821924
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate
SMILESO=C(ON1CCO[C@]2(CC2O)C1)c1ccccc1
InChIInChI=1S/C13H15NO4/c15-11-8-13(11)9-14(6-7-17-13)18-12(16)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11?,13-/m1/s1
InChIKeyNWDMPNRVFUOTFB-GLGOKHISSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 126455167
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CID 163774543
(3,3,5,5-tetramethylpiperazin-1-yl) benzoate
CID 18629568
[7-(hydroxymethyl)-2-azaspiro[3.5]nonan-2-yl] benzoate
CID 174256242
[4-(2-hydroxyethyl)piperidin-1-yl] benzoate
CID 126581762
(1,1-dioxo-1,4-thiazinan-4-yl) benzoate
CID 12708317
(4-carbamoyloxy-3,3,5,5-tetramethylpiperazin-1-yl) benzoate
CID 139790013
(4-ethenyl-4-hydroxypiperidin-1-yl) benzoate
CID 163590605
[4-(3,5-dimethyl-1-adamantyl)piperazin-1-yl] benzoate
CID 174683721
tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 178145170
[4-(1,2-benzoxazol-3-yl)piperidin-1-yl] benzoate
CID 13078339
[4-(benzylsulfamoyl)piperidin-1-yl] benzoate
CID 147007138

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate?
The IUPAC name of [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate (CID 163821924) is [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate.
What is the SMILES notation for [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate?
The canonical SMILES for [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate is O=C(ON1CCO[C@]2(CC2O)C1)c1ccccc1.
What is the InChIKey of [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate?
The InChIKey is NWDMPNRVFUOTFB-GLGOKHISSA-N. The full InChI is InChI=1S/C13H15NO4/c15-11-8-13(11)9-14(6-7-17-13)18-12(16)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11?,13-/m1/s1.
What are the key properties of [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate?
[(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate has a molecular weight of 249.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-hydroxy-4-oxa-7-azaspiro[2.5]octan-7-yl] benzoate is sourced from PubChem (CID 163821924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).