methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate

C10H17NO3 — CID 97295038

IUPACmethyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate
SMILESCOC(=O)[C@H]1CCC2(CCNCC2)O1
InChIInChI=1S/C10H17NO3/c1-13-9(12)8-2-3-10(14-8)4-6-11-7-5-10/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyNCSRJGIZUGMRQE-MRVPVSSYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds1

About methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate

methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate (PubChem CID 97295038) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate
PubChem CID97295038
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate
SMILESCOC(=O)[C@H]1CCC2(CCNCC2)O1
InChIInChI=1S/C10H17NO3/c1-13-9(12)8-2-3-10(14-8)4-6-11-7-5-10/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyNCSRJGIZUGMRQE-MRVPVSSYSA-N
XLogP0.46
TPSA47.56 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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate (CID 97295038) is methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate is COC(=O)[C@H]1CCC2(CCNCC2)O1.
What is the InChIKey of methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is NCSRJGIZUGMRQE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-9(12)8-2-3-10(14-8)4-6-11-7-5-10/h8,11H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate?
methyl (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 199.25 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 (2R)-1-oxa-8-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 97295038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).