2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid

C13H12N2O4 — CID 143403203

IUPAC2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid
SMILESO=C1CC2(Cc3ccc(C(=O)O)cc3C2)NC(=O)N1
InChIInChI=1S/C13H12N2O4/c16-10-6-13(15-12(19)14-10)4-8-2-1-7(11(17)18)3-9(8)5-13/h1-3H,4-6H2,(H,17,18)(H2,14,15,16,19)
InChIKeyZQAMSZNVJVNUCS-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.45
Rot. Bonds1

About 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid

2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid (PubChem CID 143403203) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid.

Molecular Properties

Compound Name2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid
PubChem CID143403203
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid
SMILESO=C1CC2(Cc3ccc(C(=O)O)cc3C2)NC(=O)N1
InChIInChI=1S/C13H12N2O4/c16-10-6-13(15-12(19)14-10)4-8-2-1-7(11(17)18)3-9(8)5-13/h1-3H,4-6H2,(H,17,18)(H2,14,15,16,19)
InChIKeyZQAMSZNVJVNUCS-UHFFFAOYSA-N
XLogP0.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-2,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 135742200
(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616298
potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide
CID 59027888
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid
CID 175212768
2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
CID 57324652
(2R)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylic acid
CID 138707641
6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
CID 84675953
4-aminobenzoic acid;1,3-diazinane-2,4,6-trione
CID 139205213
5,8-dihydronaphthalene-2-carboxylic acid
CID 70557136
1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
CID 67941852
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
(6R)-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxylic acid
CID 122616466

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid?
The IUPAC name of 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid (CID 143403203) is 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid.
What is the SMILES notation for 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid?
The canonical SMILES for 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid is O=C1CC2(Cc3ccc(C(=O)O)cc3C2)NC(=O)N1.
What is the InChIKey of 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid?
The InChIKey is ZQAMSZNVJVNUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-10-6-13(15-12(19)14-10)4-8-2-1-7(11(17)18)3-9(8)5-13/h1-3H,4-6H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid?
2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxospiro[1,3-diazinane-4,2'-1,3-dihydroindene]-5'-carboxylic acid is sourced from PubChem (CID 143403203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).