[(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate

C12H20N2O4 — CID 137370751

IUPAC[(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate
SMILESCC(=O)OC1NCC12CN(C(C)C)C(=O)[C@@H](C)O2
InChIInChI=1S/C12H20N2O4/c1-7(2)14-6-12(18-8(3)10(14)16)5-13-11(12)17-9(4)15/h7-8,11,13H,5-6H2,1-4H3/t8-,11?,12?/m1/s1
InChIKeyANZZZFDXOXJFFH-HUUUCTMMSA-N
MW256.30 g/mol
LogP-0.13
Rot. Bonds2

About [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate

[(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate (PubChem CID 137370751) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate.

Molecular Properties

Compound Name[(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate
PubChem CID137370751
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name[(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate
SMILESCC(=O)OC1NCC12CN(C(C)C)C(=O)[C@@H](C)O2
InChIInChI=1S/C12H20N2O4/c1-7(2)14-6-12(18-8(3)10(14)16)5-13-11(12)17-9(4)15/h7-8,11,13H,5-6H2,1-4H3/t8-,11?,12?/m1/s1
InChIKeyANZZZFDXOXJFFH-HUUUCTMMSA-N
XLogP-0.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate?
The IUPAC name of [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate (CID 137370751) is [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate.
What is the SMILES notation for [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate?
The canonical SMILES for [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate is CC(=O)OC1NCC12CN(C(C)C)C(=O)[C@@H](C)O2.
What is the InChIKey of [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate?
The InChIKey is ANZZZFDXOXJFFH-HUUUCTMMSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(2)14-6-12(18-8(3)10(14)16)5-13-11(12)17-9(4)15/h7-8,11,13H,5-6H2,1-4H3/t8-,11?,12?/m1/s1.
What are the key properties of [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate?
[(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate has a molecular weight of 256.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate is sourced from PubChem (CID 137370751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).