4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid

C8H6N4O7 — CID 141031372

IUPAC4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid
SMILESO=C1CN(C(=O)C2(C(=O)O)NC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C8H6N4O7/c13-2-1-12(7(19)9-2)4(15)8(5(16)17)3(14)10-6(18)11-8/h1H2,(H,16,17)(H,9,13,19)(H2,10,11,14,18)
InChIKeyJOJVCDFTIGELAY-UHFFFAOYSA-N
MW270.16 g/mol
LogP-3.27
Rot. Bonds2

About 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid

4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid (PubChem CID 141031372) has the molecular formula C8H6N4O7 and a molecular weight of 270.16 g/mol. Its IUPAC name is 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid
PubChem CID141031372
Molecular FormulaC8H6N4O7
Molecular Weight270.16 g/mol
Exact Mass270.02
IUPAC Name4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid
SMILESO=C1CN(C(=O)C2(C(=O)O)NC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C8H6N4O7/c13-2-1-12(7(19)9-2)4(15)8(5(16)17)3(14)10-6(18)11-8/h1H2,(H,16,17)(H,9,13,19)(H2,10,11,14,18)
InChIKeyJOJVCDFTIGELAY-UHFFFAOYSA-N
XLogP-3.27
TPSA161.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 5-3.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid
CID 155895138
ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate
CID 22139635
3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
CID 13085943
3-(3,5-dioxopiperazin-1-yl)propanoic acid
CID 66085521
4,5,5-triacetyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid
CID 142654327
4-(3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66083698
N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide
CID 67309310
oxalic acid;pyrrolidine-2,5-dione
CID 19913999
oxalic acid;bis(pyrrolidine-2,5-dione)
CID 175829217
2-[8,19,22-tris(carboxymethyl)-13,14,27,28,29,30,31,32-octamethyl-3,10,17,24-tetraoxo-2,5,8,11,16,19,22,25-octazatricyclo[24.2.2.212,15]dotriaconta-1(29),12,14,26(30),27,31-hexaen-5-yl]acetic acid
CID 101114766
(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl) hydrogen carbonate
CID 68899582
2,2-dimethyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 138033204

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid?
The IUPAC name of 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid (CID 141031372) is 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid is O=C1CN(C(=O)C2(C(=O)O)NC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid?
The InChIKey is JOJVCDFTIGELAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O7/c13-2-1-12(7(19)9-2)4(15)8(5(16)17)3(14)10-6(18)11-8/h1H2,(H,16,17)(H,9,13,19)(H2,10,11,14,18).
What are the key properties of 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid?
4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid has a molecular weight of 270.16 g/mol, XLogP of -3.27, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxoimidazolidine-1-carbonyl)-2,5-dioxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 141031372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).