(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane

C11H19NO2 — CID 97486843

IUPAC(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
SMILESC1C[C@]2(CN1)C[C@@H](OCC1CC1)CO2
InChIInChI=1S/C11H19NO2/c1-2-9(1)6-13-10-5-11(14-7-10)3-4-12-8-11/h9-10,12H,1-8H2/t10-,11-/m1/s1
InChIKeyOULBQORWMHQAEZ-GHMZBOCLSA-N
MW197.28 g/mol
LogP0.93
Rot. Bonds3

About (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane

(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97486843) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97486843
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
SMILESC1C[C@]2(CN1)C[C@@H](OCC1CC1)CO2
InChIInChI=1S/C11H19NO2/c1-2-9(1)6-13-10-5-11(14-7-10)3-4-12-8-11/h9-10,12H,1-8H2/t10-,11-/m1/s1
InChIKeyOULBQORWMHQAEZ-GHMZBOCLSA-N
XLogP0.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane (CID 97486843) is (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane is C1C[C@]2(CN1)C[C@@H](OCC1CC1)CO2.
What is the InChIKey of (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is OULBQORWMHQAEZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-9(1)6-13-10-5-11(14-7-10)3-4-12-8-11/h9-10,12H,1-8H2/t10-,11-/m1/s1.
What are the key properties of (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 197.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97486843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).