methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate

C11H19NO3 — CID 125426547

IUPACmethyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
SMILESCOC(=O)[C@@H]1NCC12CCC(OC)CC2
InChIInChI=1S/C11H19NO3/c1-14-8-3-5-11(6-4-8)7-12-9(11)10(13)15-2/h8-9,12H,3-7H2,1-2H3/t8?,9-,11?/m0/s1
InChIKeyYIQHOHGEELIIOZ-YUCVTWSNSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds2

About methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate

methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate (PubChem CID 125426547) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
PubChem CID125426547
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
SMILESCOC(=O)[C@@H]1NCC12CCC(OC)CC2
InChIInChI=1S/C11H19NO3/c1-14-8-3-5-11(6-4-8)7-12-9(11)10(13)15-2/h8-9,12H,3-7H2,1-2H3/t8?,9-,11?/m0/s1
InChIKeyYIQHOHGEELIIOZ-YUCVTWSNSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate?
The IUPAC name of methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate (CID 125426547) is methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate.
What is the SMILES notation for methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate?
The canonical SMILES for methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate is COC(=O)[C@@H]1NCC12CCC(OC)CC2.
What is the InChIKey of methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate?
The InChIKey is YIQHOHGEELIIOZ-YUCVTWSNSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-8-3-5-11(6-4-8)7-12-9(11)10(13)15-2/h8-9,12H,3-7H2,1-2H3/t8?,9-,11?/m0/s1.
What are the key properties of methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate?
methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate is sourced from PubChem (CID 125426547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).