4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

C8H12N2O4 — CID 4962436

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCN1CC(=O)N(CCCC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyDVKKZPQUYUHBNN-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.25
Rot. Bonds4

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (PubChem CID 4962436) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
PubChem CID4962436
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCN1CC(=O)N(CCCC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyDVKKZPQUYUHBNN-UHFFFAOYSA-N
XLogP-0.25
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.25
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

4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962194
3-(3-Methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 28824107
4-(2,5-Dioxo-imidazolidin-1-yl)-butyric acid
CID 2554535
4-(2-Imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid
CID 20242389
2,2,2-Trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 157252228
2-(3-Isopropyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 16394958
2-(3-Butyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 9794564
(R)-alpha-bromo-3,4,4-trimethyl-2,5-dioxo-1-imidazolidinebutanoic acid
CID 11168359
alpha-Bromo-3,4,4-trimethyl-2,5-dioxo-1-imidazolidinebutanoic acid
CID 11324242
4-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)butanoic acid
CID 18939891
3-(3-Methyl-2,4-dioxoimidazolidin-1-yl)propionic acid
CID 18976546
4-(3,4,4-Trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 19609834

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (CID 4962436) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is CN1CC(=O)N(CCCC(=O)O)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The InChIKey is DVKKZPQUYUHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid has a molecular weight of 200.19 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 4962436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).