3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid

C11H16N2O6 — CID 6452258

IUPAC3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid
SMILESCC1(C)C(=O)N(CCC(=O)O)C(=O)N1CCC(=O)O
InChIInChI=1S/C11H16N2O6/c1-11(2)9(18)12(5-3-7(14)15)10(19)13(11)6-4-8(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLQGSKDNLLJIRAI-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.02
Rot. Bonds6

About 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid

3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid (PubChem CID 6452258) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid
PubChem CID6452258
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid
SMILESCC1(C)C(=O)N(CCC(=O)O)C(=O)N1CCC(=O)O
InChIInChI=1S/C11H16N2O6/c1-11(2)9(18)12(5-3-7(14)15)10(19)13(11)6-4-8(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyLQGSKDNLLJIRAI-UHFFFAOYSA-N
XLogP-0.02
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid (CID 6452258) is 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid is CC1(C)C(=O)N(CCC(=O)O)C(=O)N1CCC(=O)O.
What is the InChIKey of 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid?
The InChIKey is LQGSKDNLLJIRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-11(2)9(18)12(5-3-7(14)15)10(19)13(11)6-4-8(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid?
3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid has a molecular weight of 272.26 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-carboxyethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 6452258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).