(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol

C8H15NO3 — CID 178194845

IUPAC(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol
SMILESO[C@H]1COC2(CCCNC2)[C@H]1O
InChIInChI=1S/C8H15NO3/c10-6-4-12-8(7(6)11)2-1-3-9-5-8/h6-7,9-11H,1-5H2/t6-,7-,8?/m0/s1
InChIKeyUFUCAQZHYBKWGR-WPZUCAASSA-N
MW173.21 g/mol
LogP-1.14
Rot. Bonds

About (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol

(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol (PubChem CID 178194845) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol
PubChem CID178194845
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol
SMILESO[C@H]1COC2(CCCNC2)[C@H]1O
InChIInChI=1S/C8H15NO3/c10-6-4-12-8(7(6)11)2-1-3-9-5-8/h6-7,9-11H,1-5H2/t6-,7-,8?/m0/s1
InChIKeyUFUCAQZHYBKWGR-WPZUCAASSA-N
XLogP-1.14
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol?
The IUPAC name of (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol (CID 178194845) is (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol.
What is the SMILES notation for (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol?
The canonical SMILES for (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol is O[C@H]1COC2(CCCNC2)[C@H]1O.
What is the InChIKey of (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol?
The InChIKey is UFUCAQZHYBKWGR-WPZUCAASSA-N. The full InChI is InChI=1S/C8H15NO3/c10-6-4-12-8(7(6)11)2-1-3-9-5-8/h6-7,9-11H,1-5H2/t6-,7-,8?/m0/s1.
What are the key properties of (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol?
(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol has a molecular weight of 173.21 g/mol, XLogP of -1.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol is sourced from PubChem (CID 178194845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).