3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid

C9H14N2O4 — CID 18976539

IUPAC3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid
SMILESCN1C(=O)N(CCC(=O)O)C(C)(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-9(2)7(14)10(3)8(15)11(9)5-4-6(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKeyGNCCMINIZIWTGA-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.13
Rot. Bonds3

About 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid

3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid (PubChem CID 18976539) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid
PubChem CID18976539
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid
SMILESCN1C(=O)N(CCC(=O)O)C(C)(C)C1=O
InChIInChI=1S/C9H14N2O4/c1-9(2)7(14)10(3)8(15)11(9)5-4-6(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKeyGNCCMINIZIWTGA-UHFFFAOYSA-N
XLogP0.13
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Amino-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 44331737
Hydantoinpropionic acid
CID 69303592
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 3154173
3-(3-Methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 28824107
4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-dipropionic acid
CID 6452258
3-[4-Methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 64264858
2,2-Dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 79629967
2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 3154174
2-[3-(2-Methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 15096140
3-(2,5-Dioxoimidazolidin-1-yl)propanoic acid
CID 16783630
2-Amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 18476630
3-(3-Methyl-2,4-dioxoimidazolidin-1-yl)propionic acid
CID 18976546

Frequently Asked Questions

What is the IUPAC name of 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid (CID 18976539) is 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid is CN1C(=O)N(CCC(=O)O)C(C)(C)C1=O.
What is the InChIKey of 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid?
The InChIKey is GNCCMINIZIWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-9(2)7(14)10(3)8(15)11(9)5-4-6(12)13/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid?
3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5,5-trimethyl-2,4-dioxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 18976539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).