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

C15H26N2O4 — CID 141010620

IUPACtert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate
SMILESCCCC(C(=O)OC(C)(C)C)N1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C15H26N2O4/c1-8-9-10(11(18)21-14(2,3)4)17-12(19)15(5,6)16(7)13(17)20/h10H,8-9H2,1-7H3
InChIKeyHNDJKJBHSGZQHZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.17
Rot. Bonds4

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

tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate (PubChem CID 141010620) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate.

Molecular Properties

Compound Nametert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate
PubChem CID141010620
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate
SMILESCCCC(C(=O)OC(C)(C)C)N1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C15H26N2O4/c1-8-9-10(11(18)21-14(2,3)4)17-12(19)15(5,6)16(7)13(17)20/h10H,8-9H2,1-7H3
InChIKeyHNDJKJBHSGZQHZ-UHFFFAOYSA-N
XLogP2.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate?
The IUPAC name of tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate (CID 141010620) is tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate.
What is the SMILES notation for tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate?
The canonical SMILES for tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate is CCCC(C(=O)OC(C)(C)C)N1C(=O)N(C)C(C)(C)C1=O.
What is the InChIKey of tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate?
The InChIKey is HNDJKJBHSGZQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-8-9-10(11(18)21-14(2,3)4)17-12(19)15(5,6)16(7)13(17)20/h10H,8-9H2,1-7H3.
What are the key properties of tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate?
tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate has a molecular weight of 298.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate is sourced from PubChem (CID 141010620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).