methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate

C12H17NO5 — CID 141344203

IUPACmethyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1C(=O)N(OC)C2(CCCCC2)C1=O
InChIInChI=1S/C12H17NO5/c1-17-11(16)8-9(14)12(6-4-3-5-7-12)13(18-2)10(8)15/h8H,3-7H2,1-2H3
InChIKeyNECUORGKKAKWQK-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.45
Rot. Bonds2

About methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate

methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate (PubChem CID 141344203) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
PubChem CID141344203
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namemethyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1C(=O)N(OC)C2(CCCCC2)C1=O
InChIInChI=1S/C12H17NO5/c1-17-11(16)8-9(14)12(6-4-3-5-7-12)13(18-2)10(8)15/h8H,3-7H2,1-2H3
InChIKeyNECUORGKKAKWQK-UHFFFAOYSA-N
XLogP0.45
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate (CID 141344203) is methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate is COC(=O)C1C(=O)N(OC)C2(CCCCC2)C1=O.
What is the InChIKey of methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is NECUORGKKAKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-17-11(16)8-9(14)12(6-4-3-5-7-12)13(18-2)10(8)15/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate?
methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 141344203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).