6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid

C12H19NO3 — CID 105359802

IUPAC6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC1CCCC2(CC(=O)NC2C(=O)O)C1C
InChIInChI=1S/C12H19NO3/c1-7-4-3-5-12(8(7)2)6-9(14)13-10(12)11(15)16/h7-8,10H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXECAHSWYGIHVSX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds1

About 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid

6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105359802) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105359802
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC1CCCC2(CC(=O)NC2C(=O)O)C1C
InChIInChI=1S/C12H19NO3/c1-7-4-3-5-12(8(7)2)6-9(14)13-10(12)11(15)16/h7-8,10H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyXECAHSWYGIHVSX-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dimethyl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 64754215
7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359842
7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359830
3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359808
3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid
CID 130577831
3-oxo-7-oxa-2-azaspiro[4.4]nonane-1-carboxylic acid
CID 83482975
3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359974
5-methoxy-5'-oxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-carboxylic acid
CID 105359776
3-(2,4-dimethylphenyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359815
(3S)-2,2-dimethyl-5-oxothiomorpholine-3-carboxylic acid
CID 14039527
ethane;6-oxopiperidine-2-carboxylic acid
CID 143229288
3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359864

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105359802) is 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid is CC1CCCC2(CC(=O)NC2C(=O)O)C1C.
What is the InChIKey of 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is XECAHSWYGIHVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7-4-3-5-12(8(7)2)6-9(14)13-10(12)11(15)16/h7-8,10H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid?
6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105359802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).