2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate

C14H26N2O4 — CID 57194364

IUPAC2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate
SMILESCC(C)COC(=O)CC(O)CN1CC(=O)NC1C(C)C
InChIInChI=1S/C14H26N2O4/c1-9(2)8-20-13(19)5-11(17)6-16-7-12(18)15-14(16)10(3)4/h9-11,14,17H,5-8H2,1-4H3,(H,15,18)
InChIKeyVEUDZQZUQHIBSH-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.35
Rot. Bonds7

About 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate

2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate (PubChem CID 57194364) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Name2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate
PubChem CID57194364
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate
SMILESCC(C)COC(=O)CC(O)CN1CC(=O)NC1C(C)C
InChIInChI=1S/C14H26N2O4/c1-9(2)8-20-13(19)5-11(17)6-16-7-12(18)15-14(16)10(3)4/h9-11,14,17H,5-8H2,1-4H3,(H,15,18)
InChIKeyVEUDZQZUQHIBSH-UHFFFAOYSA-N
XLogP0.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate?
The IUPAC name of 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate (CID 57194364) is 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate.
What is the SMILES notation for 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate?
The canonical SMILES for 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate is CC(C)COC(=O)CC(O)CN1CC(=O)NC1C(C)C.
What is the InChIKey of 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate?
The InChIKey is VEUDZQZUQHIBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)8-20-13(19)5-11(17)6-16-7-12(18)15-14(16)10(3)4/h9-11,14,17H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate?
2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate has a molecular weight of 286.37 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate is sourced from PubChem (CID 57194364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).