2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid

C8H10N2O6 — CID 141256758

IUPAC2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid
SMILESCC1(C)C(=O)NC(=O)N1C(C(=O)O)C(=O)O
InChIInChI=1S/C8H10N2O6/c1-8(2)6(15)9-7(16)10(8)3(4(11)12)5(13)14/h3H,1-2H3,(H,11,12)(H,13,14)(H,9,15,16)
InChIKeyQKDFWOZLDSWFFS-UHFFFAOYSA-N
MW230.18 g/mol
LogP-1.15
Rot. Bonds3

About 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid

2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid (PubChem CID 141256758) has the molecular formula C8H10N2O6 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid
PubChem CID141256758
Molecular FormulaC8H10N2O6
Molecular Weight230.18 g/mol
Exact Mass230.05
IUPAC Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid
SMILESCC1(C)C(=O)NC(=O)N1C(C(=O)O)C(=O)O
InChIInChI=1S/C8H10N2O6/c1-8(2)6(15)9-7(16)10(8)3(4(11)12)5(13)14/h3H,1-2H3,(H,11,12)(H,13,14)(H,9,15,16)
InChIKeyQKDFWOZLDSWFFS-UHFFFAOYSA-N
XLogP-1.15
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid (CID 141256758) is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid is CC1(C)C(=O)NC(=O)N1C(C(=O)O)C(=O)O.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid?
The InChIKey is QKDFWOZLDSWFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6/c1-8(2)6(15)9-7(16)10(8)3(4(11)12)5(13)14/h3H,1-2H3,(H,11,12)(H,13,14)(H,9,15,16).
What are the key properties of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid?
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid has a molecular weight of 230.18 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)propanedioic acid is sourced from PubChem (CID 141256758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).