3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid

C10H14N2O5 — CID 90908477

IUPAC3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid
SMILESO=C(O)C1C(=O)NCC12CCN(C(=O)O)CC2
InChIInChI=1S/C10H14N2O5/c13-7-6(8(14)15)10(5-11-7)1-3-12(4-2-10)9(16)17/h6H,1-5H2,(H,11,13)(H,14,15)(H,16,17)
InChIKeyRBMYMKKHIQUZRS-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.42
Rot. Bonds1

About 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid

3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid (PubChem CID 90908477) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid.

Molecular Properties

Compound Name3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid
PubChem CID90908477
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid
SMILESO=C(O)C1C(=O)NCC12CCN(C(=O)O)CC2
InChIInChI=1S/C10H14N2O5/c13-7-6(8(14)15)10(5-11-7)1-3-12(4-2-10)9(16)17/h6H,1-5H2,(H,11,13)(H,14,15)(H,16,17)
InChIKeyRBMYMKKHIQUZRS-UHFFFAOYSA-N
XLogP-0.42
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8S)-7-oxo-6-azaspiro[3.4]octane-8-carboxylic acid
CID 129388763
5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 130301440
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 68631599
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 124639064
2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
CID 151434915
4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
CID 152560175
2-(2-hydroxyethyl)-6-azaspiro[2.5]octane-6-carboxylic acid
CID 155024264
3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 68886117
9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
CID 67293081
tert-butyl (4R)-4-butyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 97114235

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid?
The IUPAC name of 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid (CID 90908477) is 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid.
What is the SMILES notation for 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid?
The canonical SMILES for 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid is O=C(O)C1C(=O)NCC12CCN(C(=O)O)CC2.
What is the InChIKey of 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid?
The InChIKey is RBMYMKKHIQUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-7-6(8(14)15)10(5-11-7)1-3-12(4-2-10)9(16)17/h6H,1-5H2,(H,11,13)(H,14,15)(H,16,17).
What are the key properties of 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid?
3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid is sourced from PubChem (CID 90908477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).