methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

C11H16N2O6 — CID 170296969

IUPACmethyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)CNC=O)OCCO2
InChIInChI=1S/C11H16N2O6/c1-17-10(16)8-4-11(18-2-3-19-11)6-13(8)9(15)5-12-7-14/h7-8H,2-6H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyTZKPIRFDWRIZLX-QMMMGPOBSA-N
MW272.26 g/mol
LogP-1.75
Rot. Bonds4

About methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (PubChem CID 170296969) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Namemethyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
PubChem CID170296969
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Namemethyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)CNC=O)OCCO2
InChIInChI=1S/C11H16N2O6/c1-17-10(16)8-4-11(18-2-3-19-11)6-13(8)9(15)5-12-7-14/h7-8H,2-6H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyTZKPIRFDWRIZLX-QMMMGPOBSA-N
XLogP-1.75
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (CID 170296969) is methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is COC(=O)[C@@H]1CC2(CN1C(=O)CNC=O)OCCO2.
What is the InChIKey of methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The InChIKey is TZKPIRFDWRIZLX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-17-10(16)8-4-11(18-2-3-19-11)6-13(8)9(15)5-12-7-14/h7-8H,2-6H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate has a molecular weight of 272.26 g/mol, XLogP of -1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 170296969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).