methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate

C12H20N2O3 — CID 83256480

IUPACmethyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
SMILESCOC(=O)CCN1C(=O)C2(CC2)NC1C(C)C
InChIInChI=1S/C12H20N2O3/c1-8(2)10-13-12(5-6-12)11(16)14(10)7-4-9(15)17-3/h8,10,13H,4-7H2,1-3H3
InChIKeySPOGGPRVGDBDOV-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.50
Rot. Bonds4

About methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate

methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate (PubChem CID 83256480) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
PubChem CID83256480
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
SMILESCOC(=O)CCN1C(=O)C2(CC2)NC1C(C)C
InChIInChI=1S/C12H20N2O3/c1-8(2)10-13-12(5-6-12)11(16)14(10)7-4-9(15)17-3/h8,10,13H,4-7H2,1-3H3
InChIKeySPOGGPRVGDBDOV-UHFFFAOYSA-N
XLogP0.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate?
The IUPAC name of methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate (CID 83256480) is methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate.
What is the SMILES notation for methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate?
The canonical SMILES for methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate is COC(=O)CCN1C(=O)C2(CC2)NC1C(C)C.
What is the InChIKey of methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate?
The InChIKey is SPOGGPRVGDBDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(2)10-13-12(5-6-12)11(16)14(10)7-4-9(15)17-3/h8,10,13H,4-7H2,1-3H3.
What are the key properties of methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate?
methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate has a molecular weight of 240.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate is sourced from PubChem (CID 83256480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).