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

C10H16N2O4 — CID 19609834

IUPAC4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCN1C(=O)N(CCCC(=O)O)C(=O)C1(C)C
InChIInChI=1S/C10H16N2O4/c1-10(2)8(15)12(9(16)11(10)3)6-4-5-7(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyUPACALZSGXDTIT-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.52
Rot. Bonds4

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

4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (PubChem CID 19609834) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
PubChem CID19609834
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCN1C(=O)N(CCCC(=O)O)C(=O)C1(C)C
InChIInChI=1S/C10H16N2O4/c1-10(2)8(15)12(9(16)11(10)3)6-4-5-7(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyUPACALZSGXDTIT-UHFFFAOYSA-N
XLogP0.52
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.52
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-(3-Methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962436
4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962194
Methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 43215732
4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-dipropionic acid
CID 6452258
4-[4-Methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanoic acid
CID 64265060
2,2,2-Trifluoroacetic acid;4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 157252228
(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
2-Acetylsulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 17880434
4-(5,5-Dimethyl-2,4-dioxoimidazolidin-1-yl)butanoic acid
CID 18939891
3-(3,5,5-Trimethyl-2,4-dioxoimidazolidin-1-yl)propionic acid
CID 18976539
Tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 19609840

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The IUPAC name of 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (CID 19609834) is 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is CN1C(=O)N(CCCC(=O)O)C(=O)C1(C)C.
What is the InChIKey of 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The InChIKey is UPACALZSGXDTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2)8(15)12(9(16)11(10)3)6-4-5-7(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 19609834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).