(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride

C8H16ClNO3 — CID 146155059

IUPAC(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride
SMILESCl.O[C@@H]1COC2(CCNCC2)[C@@H]1O
InChIInChI=1S/C8H15NO3.ClH/c10-6-5-12-8(7(6)11)1-3-9-4-2-8;/h6-7,9-11H,1-5H2;1H/t6-,7-;/m1./s1
InChIKeyGTUIUPZBGLWDMK-ZJLYAJKPSA-N
MW209.67 g/mol
LogP-0.72
Rot. Bonds

About (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride

(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride (PubChem CID 146155059) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride
PubChem CID146155059
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride
SMILESCl.O[C@@H]1COC2(CCNCC2)[C@@H]1O
InChIInChI=1S/C8H15NO3.ClH/c10-6-5-12-8(7(6)11)1-3-9-4-2-8;/h6-7,9-11H,1-5H2;1H/t6-,7-;/m1./s1
InChIKeyGTUIUPZBGLWDMK-ZJLYAJKPSA-N
XLogP-0.72
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride with MolForge

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Related Compounds

3-Hydroxy-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 10397520
8-Methyl-1-oxa-8-azaspiro[4.5]decan-3-ol;hydrochloride
CID 23356740
2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ol;hydrochloride
CID 14734268
1-Oxa-8-azaspiro[4.5]decan-3-ol
CID 45083200
3-Methoxy-1-Oxa-8-Azaspiro(4.5)Decane Hydrochloride
CID 75531113
rac-(3R,4R)-1-oxa-7-azaspiro[4.5]decane-3,4-diol hydrochloride
CID 165951061
(R)-2-Oxa-8-azaspiro[4.5]decan-4-ol
CID 57586059
8-Methyl-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 10374864
3-(2-Fluoroethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930187
3-(3-Fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930244
1,1,1-Trifluoro-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)propan-2-ol
CID 106941102
(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol
CID 146155060

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride?
The IUPAC name of (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride (CID 146155059) is (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride.
What is the SMILES notation for (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride?
The canonical SMILES for (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride is Cl.O[C@@H]1COC2(CCNCC2)[C@@H]1O.
What is the InChIKey of (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride?
The InChIKey is GTUIUPZBGLWDMK-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c10-6-5-12-8(7(6)11)1-3-9-4-2-8;/h6-7,9-11H,1-5H2;1H/t6-,7-;/m1./s1.
What are the key properties of (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride?
(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of -0.72, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol;hydrochloride is sourced from PubChem (CID 146155059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).