(6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol

C9H17NO2 — CID 118197652

IUPAC(6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol
SMILESCC[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyLYPUWEGFMHAGTQ-BWZBUEFSSA-N
MW171.24 g/mol
LogP-0.13
Rot. Bonds1

About (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol

(6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197652) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197652
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol
SMILESCC[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyLYPUWEGFMHAGTQ-BWZBUEFSSA-N
XLogP-0.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Isofagomine derivative, 8
CID 57340002
(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 164611552
(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 164611551
US10081601, Example 3
CID 91810852
US8604206, (3R,4R,5S)-5-((R)-1-fluoropropyl)-piperidine-3,4-diol hydrochloride
CID 91824849
US10081601, Example 26
CID 118197603
US10081601, Example 25
CID 118197625
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US10081601, Example 27
CID 118199314
US10081601, Example 28
CID 118199315

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol (CID 118197652) is (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol is CC[C@@H]1[C@@H](O)[C@H](O)CNC12CC2.
What is the InChIKey of (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is LYPUWEGFMHAGTQ-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1.
What are the key properties of (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 171.24 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).