2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

C8H12N2O4 — CID 3860988

IUPAC2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
SMILESCCC1(C)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-3-8(2)6(13)10(4-5(11)12)7(14)9-8/h3-4H2,1-2H3,(H,9,14)(H,11,12)
InChIKeyXXYIIPIBFCYMDU-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.21
Rot. Bonds3

About 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid (PubChem CID 3860988) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
PubChem CID3860988
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
SMILESCCC1(C)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-3-8(2)6(13)10(4-5(11)12)7(14)9-8/h3-4H2,1-2H3,(H,9,14)(H,11,12)
InChIKeyXXYIIPIBFCYMDU-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
2-(2,4-Dioxo-1,3-diazaspiro(4.4)nonan-3-yl)acetic acid
CID 4996089
(4,4-Diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 3501226
4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962194
2-[3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-dimethylazaniumyl]acetate
CID 155539658
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 3154173
2-(4-Cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 3162839
2-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-methylpropanoic acid
CID 266712
methyl (2S)-2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]propanoate
CID 390732
Ethyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 289058
Methyl (4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
Ethyl (4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)acetate
CID 14678127

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid (CID 3860988) is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid is CCC1(C)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The InChIKey is XXYIIPIBFCYMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-3-8(2)6(13)10(4-5(11)12)7(14)9-8/h3-4H2,1-2H3,(H,9,14)(H,11,12).
What are the key properties of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic 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 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 3860988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).