2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one

C10H17NO4 — CID 143816400

IUPAC2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one
SMILESCOCC1(C)OC(C)(C)C(=O)C12OC2N
InChIInChI=1S/C10H17NO4/c1-8(2)6(12)10(7(11)14-10)9(3,15-8)5-13-4/h7H,5,11H2,1-4H3
InChIKeyBMYNHHWGDPSXGD-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.18
Rot. Bonds2

About 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one

2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one (PubChem CID 143816400) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Name2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one
PubChem CID143816400
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one
SMILESCOCC1(C)OC(C)(C)C(=O)C12OC2N
InChIInChI=1S/C10H17NO4/c1-8(2)6(12)10(7(11)14-10)9(3,15-8)5-13-4/h7H,5,11H2,1-4H3
InChIKeyBMYNHHWGDPSXGD-UHFFFAOYSA-N
XLogP-0.18
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one?
The IUPAC name of 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one (CID 143816400) is 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one.
What is the SMILES notation for 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one?
The canonical SMILES for 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one is COCC1(C)OC(C)(C)C(=O)C12OC2N.
What is the InChIKey of 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one?
The InChIKey is BMYNHHWGDPSXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(2)6(12)10(7(11)14-10)9(3,15-8)5-13-4/h7H,5,11H2,1-4H3.
What are the key properties of 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one?
2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one has a molecular weight of 215.25 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(methoxymethyl)-5,5,7-trimethyl-1,6-dioxaspiro[2.4]heptan-4-one is sourced from PubChem (CID 143816400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).