7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid

C12H19NO3 — CID 105359830

IUPAC7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC1CC(C)CC2(CC(=O)NC2C(=O)O)C1
InChIInChI=1S/C12H19NO3/c1-7-3-8(2)5-12(4-7)6-9(14)13-10(12)11(15)16/h7-8,10H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJYRQWSXVSNCNNW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds1

About 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid

7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 105359830) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID105359830
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC1CC(C)CC2(CC(=O)NC2C(=O)O)C1
InChIInChI=1S/C12H19NO3/c1-7-3-8(2)5-12(4-7)6-9(14)13-10(12)11(15)16/h7-8,10H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJYRQWSXVSNCNNW-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

Streptokinase
CID 9815560
(4S)-4-cyclohexyl-L-proline
CID 9815559
5-Oxo-3-pentylproline
CID 256631
2-Azaspiro[4.5]decane-3-carboxylic acid hydrochloride
CID 71318826
4-Cyclohexyl-l-proline
CID 18664803
2-Azaspiro[4.5]decane-3-carboxylic acid
CID 13217353
3-(2-Methylpropyl)-5-oxopyrrolidine-2-carboxylic acid
CID 256630
3,3-Diethyl-2-pyrrolidone-5-carboxylic acid
CID 76110475
3-Oxo-8-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359792
3-Oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359939
3-Methyl-5-oxo-3-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
CID 105359990
Ethyl 3-oxo-7-(trifluoromethyl)-2-azaspiro[4.5]decane-1-carboxylate
CID 105360227

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid (CID 105359830) is 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid is CC1CC(C)CC2(CC(=O)NC2C(=O)O)C1.
What is the InChIKey of 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is JYRQWSXVSNCNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7-3-8(2)5-12(4-7)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 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid?
7,9-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 7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 105359830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).