2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate

C8H9N2O4- — CID 78445633

IUPAC2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate
SMILESO=C1NC(=O)C2(CCC(C(=O)[O-])C2)N1
InChIInChI=1S/C8H10N2O4/c11-5(12)4-1-2-8(3-4)6(13)9-7(14)10-8/h4H,1-3H2,(H,11,12)(H2,9,10,13,14)/p-1
InChIKeyIDLOULSKJDVSKX-UHFFFAOYSA-M
MW197.17 g/mol
LogP-1.89
Rot. Bonds1

About 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate

2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate (PubChem CID 78445633) has the molecular formula C8H9N2O4- and a molecular weight of 197.17 g/mol. Its IUPAC name is 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Name2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate
PubChem CID78445633
Molecular FormulaC8H9N2O4-
Molecular Weight197.17 g/mol
Exact Mass197.06
IUPAC Name2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate
SMILESO=C1NC(=O)C2(CCC(C(=O)[O-])C2)N1
InChIInChI=1S/C8H10N2O4/c11-5(12)4-1-2-8(3-4)6(13)9-7(14)10-8/h4H,1-3H2,(H,11,12)(H2,9,10,13,14)/p-1
InChIKeyIDLOULSKJDVSKX-UHFFFAOYSA-M
XLogP-1.89
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 177290980
(5S,8R)-8-(4-bromophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71083946
8-(pyrrolidine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 63005449
(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl) hydrogen carbonate
CID 68899582
1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 66728930
ethyl N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]carbamate
CID 143344007
N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 167850869
2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone
CID 44552395
8-[(3R)-piperidine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81128328
N-[cyclopentyl-(3,4-dichlorophenyl)methyl]-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 170580794
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 136534380
2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid
CID 155895138

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate (CID 78445633) is 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate is O=C1NC(=O)C2(CCC(C(=O)[O-])C2)N1.
What is the InChIKey of 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate?
The InChIKey is IDLOULSKJDVSKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O4/c11-5(12)4-1-2-8(3-4)6(13)9-7(14)10-8/h4H,1-3H2,(H,11,12)(H2,9,10,13,14)/p-1.
What are the key properties of 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate?
2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate has a molecular weight of 197.17 g/mol, XLogP of -1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 78445633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).