methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate

C13H19NO4 — CID 4692747

IUPACmethyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate
SMILESCOC(=O)C(C)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H19NO4/c1-9(12(17)18-2)14-10(15)7-13(8-11(14)16)5-3-4-6-13/h9H,3-8H2,1-2H3
InChIKeyRDMYTIBUPCEAMG-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.26
Rot. Bonds2

About methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate

methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate (PubChem CID 4692747) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate
PubChem CID4692747
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate
SMILESCOC(=O)C(C)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H19NO4/c1-9(12(17)18-2)14-10(15)7-13(8-11(14)16)5-3-4-6-13/h9H,3-8H2,1-2H3
InChIKeyRDMYTIBUPCEAMG-UHFFFAOYSA-N
XLogP1.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
CID 130161407
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
CID 61071116
methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate
CID 61499840
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid
CID 61071302
8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
CID 114010142
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanethioamide
CID 61122705
(2S,3R)-3-hydroxy-2-(3-oxo-2-azaspiro[4.7]dodecan-2-yl)butanamide
CID 139390715
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574
methyl (2S)-2-[2-[(3,5-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]propanoate
CID 97130235
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
CID 4500586
propyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)acetate
CID 4501001
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate?
The IUPAC name of methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate (CID 4692747) is methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate.
What is the SMILES notation for methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate?
The canonical SMILES for methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate is COC(=O)C(C)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate?
The InChIKey is RDMYTIBUPCEAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(12(17)18-2)14-10(15)7-13(8-11(14)16)5-3-4-6-13/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate?
methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate is sourced from PubChem (CID 4692747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).