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

C8H15NO2 — CID 118197630

IUPAC(6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol
SMILESC[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeySNBKQXWAMBQGSA-FSDSQADBSA-N
MW157.21 g/mol
LogP-0.52
Rot. Bonds

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

(6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197630) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197630
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol
SMILESC[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeySNBKQXWAMBQGSA-FSDSQADBSA-N
XLogP-0.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.52
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
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
US9796680, Example 15
CID 126501551

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol (CID 118197630) is (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol is C[C@@H]1[C@@H](O)[C@H](O)CNC12CC2.
What is the InChIKey of (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is SNBKQXWAMBQGSA-FSDSQADBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 157.21 g/mol, XLogP of -0.52, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).