methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate

C8H13NO3 — CID 129322205

IUPACmethyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate
SMILESCOC(=O)[C@H]1CC2(CNC2)CO1
InChIInChI=1S/C8H13NO3/c1-11-7(10)6-2-8(5-12-6)3-9-4-8/h6,9H,2-5H2,1H3/t6-/m1/s1
InChIKeyIYBXGBCBMYFPMI-ZCFIWIBFSA-N
MW171.20 g/mol
LogP-0.46
Rot. Bonds1

About methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate

methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate (PubChem CID 129322205) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Namemethyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate
PubChem CID129322205
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate
SMILESCOC(=O)[C@H]1CC2(CNC2)CO1
InChIInChI=1S/C8H13NO3/c1-11-7(10)6-2-8(5-12-6)3-9-4-8/h6,9H,2-5H2,1H3/t6-/m1/s1
InChIKeyIYBXGBCBMYFPMI-ZCFIWIBFSA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate?
The IUPAC name of methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate (CID 129322205) is methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate is COC(=O)[C@H]1CC2(CNC2)CO1.
What is the InChIKey of methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate?
The InChIKey is IYBXGBCBMYFPMI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO3/c1-11-7(10)6-2-8(5-12-6)3-9-4-8/h6,9H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate?
methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate has a molecular weight of 171.20 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7R)-6-oxa-2-azaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 129322205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).