methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate

C10H17NO3 — CID 83908247

IUPACmethyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate
SMILESCOC(=O)C1(N)CCOCC12CCC2
InChIInChI=1S/C10H17NO3/c1-13-8(12)10(11)5-6-14-7-9(10)3-2-4-9/h2-7,11H2,1H3
InChIKeyKWVOOLQIHOZUEF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.45
Rot. Bonds1

About methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate

methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate (PubChem CID 83908247) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate.

Molecular Properties

Compound Namemethyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate
PubChem CID83908247
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate
SMILESCOC(=O)C1(N)CCOCC12CCC2
InChIInChI=1S/C10H17NO3/c1-13-8(12)10(11)5-6-14-7-9(10)3-2-4-9/h2-7,11H2,1H3
InChIKeyKWVOOLQIHOZUEF-UHFFFAOYSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate?
The IUPAC name of methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate (CID 83908247) is methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate.
What is the SMILES notation for methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate?
The canonical SMILES for methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate is COC(=O)C1(N)CCOCC12CCC2.
What is the InChIKey of methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate?
The InChIKey is KWVOOLQIHOZUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-8(12)10(11)5-6-14-7-9(10)3-2-4-9/h2-7,11H2,1H3.
What are the key properties of methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate?
methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate is sourced from PubChem (CID 83908247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).