methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate

C14H23NO3 — CID 134859614

IUPACmethyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate
SMILESCOC(=O)C1CCCC2(CCCCC2)N1C(C)=O
InChIInChI=1S/C14H23NO3/c1-11(16)15-12(13(17)18-2)7-6-10-14(15)8-4-3-5-9-14/h12H,3-10H2,1-2H3
InChIKeyUKJDTWYVRWOARS-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.26
Rot. Bonds1

About methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate

methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate (PubChem CID 134859614) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate
PubChem CID134859614
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate
SMILESCOC(=O)C1CCCC2(CCCCC2)N1C(C)=O
InChIInChI=1S/C14H23NO3/c1-11(16)15-12(13(17)18-2)7-6-10-14(15)8-4-3-5-9-14/h12H,3-10H2,1-2H3
InChIKeyUKJDTWYVRWOARS-UHFFFAOYSA-N
XLogP2.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102141683
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methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate
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methyl 1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylate
CID 65242396
methyl 1-(7-oxabicyclo[4.1.0]heptane-1-carbonyl)pyrrolidine-2-carboxylate
CID 12629859
4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
CID 11109342
methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668
methyl (2S,3aS,7aS)-1-acetyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 132942864
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate
CID 134920090

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate?
The IUPAC name of methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate (CID 134859614) is methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate.
What is the SMILES notation for methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate?
The canonical SMILES for methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate is COC(=O)C1CCCC2(CCCCC2)N1C(C)=O.
What is the InChIKey of methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate?
The InChIKey is UKJDTWYVRWOARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(16)15-12(13(17)18-2)7-6-10-14(15)8-4-3-5-9-14/h12H,3-10H2,1-2H3.
What are the key properties of methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate?
methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyl-1-azaspiro[5.5]undecane-2-carboxylate is sourced from PubChem (CID 134859614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).