tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate

C14H24N2O4 — CID 19609840

IUPACtert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCN1C(=O)N(CCCC(=O)OC(C)(C)C)C(=O)C1(C)C
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-10(17)8-7-9-16-11(18)14(4,5)15(6)12(16)19/h7-9H2,1-6H3
InChIKeyJWHKUULWAMNWIX-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.78
Rot. Bonds4

About tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate

tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate (PubChem CID 19609840) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Nametert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
PubChem CID19609840
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCN1C(=O)N(CCCC(=O)OC(C)(C)C)C(=O)C1(C)C
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-10(17)8-7-9-16-11(18)14(4,5)15(6)12(16)19/h7-9H2,1-6H3
InChIKeyJWHKUULWAMNWIX-UHFFFAOYSA-N
XLogP1.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 43215732
4-(3,4,4-Trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 19609834
Methyl 4-[3-(4-methoxy-4-oxobutyl)-2,2-dimethyl-4,5-dioxoimidazolidin-1-yl]butanoate
CID 21312561
Methyl 4-[3-(4-methoxy-4-oxobutyl)-2,4,5-trioxoimidazolidin-1-yl]butanoate
CID 21312566
Butyl 4-[3-(4-butoxy-4-oxobutyl)-2,4,5-trioxoimidazolidin-1-yl]butanoate
CID 21312570
Ethyl 4-[3-(3-bromopropyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]butanoate
CID 21911026
4-[3-(3-Carboxypropyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 54126611
Ethyl 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 69697771
Tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate
CID 141010620
Tert-butyl 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 142647406
Tert-butyl 4-[5-(bromomethyl)-3-methyl-2,4-dioxoimidazolidin-1-yl]butanoate
CID 169779184
Tert-butyl 4-[4-(bromomethyl)-3-methyl-2,5-dioxoimidazolidin-1-yl]butanoate
CID 169779644

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The IUPAC name of tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate (CID 19609840) is tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate.
What is the SMILES notation for tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The canonical SMILES for tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate is CN1C(=O)N(CCCC(=O)OC(C)(C)C)C(=O)C1(C)C.
What is the InChIKey of tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The InChIKey is JWHKUULWAMNWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)20-10(17)8-7-9-16-11(18)14(4,5)15(6)12(16)19/h7-9H2,1-6H3.
What are the key properties of tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate?
tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate has a molecular weight of 284.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoate is sourced from PubChem (CID 19609840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).