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

C8H12N2O4 — CID 3154173

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESCC1(C)NC(=O)N(CCC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-8(2)6(13)10(7(14)9-8)4-3-5(11)12/h3-4H2,1-2H3,(H,9,14)(H,11,12)
InChIKeyTWIDPXDENRHUJQ-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.21
Rot. Bonds3

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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid (PubChem CID 3154173) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
PubChem CID3154173
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESCC1(C)NC(=O)N(CCC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-8(2)6(13)10(7(14)9-8)4-3-5(11)12/h3-4H2,1-2H3,(H,9,14)(H,11,12)
InChIKeyTWIDPXDENRHUJQ-UHFFFAOYSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 2386010
3-(2,4-Dioxoimidazolidin-1-yl)alanine
CID 3035628
(4,4-Diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 3501226
3-(2-Amino-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 44331737
Hydantoinpropionic acid
CID 69303592
(4-Ethyl-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetic acid
CID 3860988
4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962194
(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-4-yl)-2-methylpropanoic acid
CID 44322745
2-[3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethylazaniumyl]acetate
CID 155539658
3-(3-Methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 28824107
3-(3'-Hydroxypropyl)-5,5-dimethylhydantoin
CID 43393688
2-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-methylpropanoic acid
CID 266712

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid (CID 3154173) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid is CC1(C)NC(=O)N(CCC(=O)O)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The InChIKey is TWIDPXDENRHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-8(2)6(13)10(7(14)9-8)4-3-5(11)12/h3-4H2,1-2H3,(H,9,14)(H,11,12).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid has a molecular weight of 200.19 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 3154173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).