(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane

C13H23NO3 — CID 97487542

IUPAC(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
SMILESC1C[C@@]2(CN1)C[C@@H](OCC1CCOCC1)CO2
InChIInChI=1S/C13H23NO3/c1-5-15-6-2-11(1)8-16-12-7-13(17-9-12)3-4-14-10-13/h11-12,14H,1-10H2/t12-,13+/m1/s1
InChIKeyUDBGTALUPGPRRR-OLZOCXBDSA-N
MW241.33 g/mol
LogP0.95
Rot. Bonds3

About (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane

(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97487542) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97487542
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
SMILESC1C[C@@]2(CN1)C[C@@H](OCC1CCOCC1)CO2
InChIInChI=1S/C13H23NO3/c1-5-15-6-2-11(1)8-16-12-7-13(17-9-12)3-4-14-10-13/h11-12,14H,1-10H2/t12-,13+/m1/s1
InChIKeyUDBGTALUPGPRRR-OLZOCXBDSA-N
XLogP0.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97486843
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155848041
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97489671
(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane;hydrochloride
CID 155846490
(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97474992
[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 131650344
8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 133139412
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
(3R,5S)-7-[(4-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419962
3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930216
(3S,5S)-9-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97475120
3-[(4-ethylmorpholin-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930286

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane (CID 97487542) is (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane is C1C[C@@]2(CN1)C[C@@H](OCC1CCOCC1)CO2.
What is the InChIKey of (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is UDBGTALUPGPRRR-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-15-6-2-11(1)8-16-12-7-13(17-9-12)3-4-14-10-13/h11-12,14H,1-10H2/t12-,13+/m1/s1.
What are the key properties of (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 241.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97487542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).