2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol

C12H23NO2 — CID 107866921

IUPAC2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)N1CC2(CCCC2)C1
InChIInChI=1S/C12H23NO2/c1-2-12(9-14,10-15)13-7-11(8-13)5-3-4-6-11/h14-15H,2-10H2,1H3
InChIKeyPDGYHLGDWMUWBX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.00
Rot. Bonds4

About 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol

2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol (PubChem CID 107866921) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol
PubChem CID107866921
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)N1CC2(CCCC2)C1
InChIInChI=1S/C12H23NO2/c1-2-12(9-14,10-15)13-7-11(8-13)5-3-4-6-11/h14-15H,2-10H2,1H3
InChIKeyPDGYHLGDWMUWBX-UHFFFAOYSA-N
XLogP1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol
CID 104549693
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol
CID 107861571
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
CID 104550634
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol
CID 104550126
3-(2-azaspiro[3.3]heptan-2-ylmethyl)pentan-3-amine
CID 115306385
3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
CID 104550414
2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol
CID 104550086
3-(5-azaspiro[2.3]hexan-5-ylmethyl)pentan-3-ol
CID 104549859
3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid
CID 79694190
2-(2-azaspiro[3.4]octan-2-yl)propan-1-ol
CID 104549199
ethane;2-methyl-2-azaspiro[3.6]decane
CID 90761663

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol?
The IUPAC name of 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol (CID 107866921) is 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol is CCC(CO)(CO)N1CC2(CCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol?
The InChIKey is PDGYHLGDWMUWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-12(9-14,10-15)13-7-11(8-13)5-3-4-6-11/h14-15H,2-10H2,1H3.
What are the key properties of 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol?
2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol has a molecular weight of 213.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).