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

C8H15NO3 — CID 146155060

IUPAC(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol
SMILESO[C@@H]1COC2(CCNCC2)[C@@H]1O
InChIInChI=1S/C8H15NO3/c10-6-5-12-8(7(6)11)1-3-9-4-2-8/h6-7,9-11H,1-5H2/t6-,7-/m1/s1
InChIKeyAWGAQXJLHAPPJB-RNFRBKRXSA-N
MW173.21 g/mol
LogP-1.14
Rot. Bonds

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

(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol (PubChem CID 146155060) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol
PubChem CID146155060
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol
SMILESO[C@@H]1COC2(CCNCC2)[C@@H]1O
InChIInChI=1S/C8H15NO3/c10-6-5-12-8(7(6)11)1-3-9-4-2-8/h6-7,9-11H,1-5H2/t6-,7-/m1/s1
InChIKeyAWGAQXJLHAPPJB-RNFRBKRXSA-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 (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol?
The IUPAC name of (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol (CID 146155060) is (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol.
What is the SMILES notation for (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol?
The canonical SMILES for (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol is 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?
The InChIKey is AWGAQXJLHAPPJB-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO3/c10-6-5-12-8(7(6)11)1-3-9-4-2-8/h6-7,9-11H,1-5H2/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol?
(3R,4R)-1-oxa-8-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 (3R,4R)-1-oxa-8-azaspiro[4.5]decane-3,4-diol is sourced from PubChem (CID 146155060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).