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

C11H20N2O4 — CID 57008663

IUPACmethyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate
SMILESCOC(=O)CC(O)CN1CC(=O)NC1C(C)C
InChIInChI=1S/C11H20N2O4/c1-7(2)11-12-9(15)6-13(11)5-8(14)4-10(16)17-3/h7-8,11,14H,4-6H2,1-3H3,(H,12,15)
InChIKeyLLGPQKXKMHGCOT-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.68
Rot. Bonds5

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

methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate (PubChem CID 57008663) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate
PubChem CID57008663
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate
SMILESCOC(=O)CC(O)CN1CC(=O)NC1C(C)C
InChIInChI=1S/C11H20N2O4/c1-7(2)11-12-9(15)6-13(11)5-8(14)4-10(16)17-3/h7-8,11,14H,4-6H2,1-3H3,(H,12,15)
InChIKeyLLGPQKXKMHGCOT-UHFFFAOYSA-N
XLogP-0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate?
The IUPAC name of methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate (CID 57008663) is methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate.
What is the SMILES notation for methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate?
The canonical SMILES for methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate is COC(=O)CC(O)CN1CC(=O)NC1C(C)C.
What is the InChIKey of methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate?
The InChIKey is LLGPQKXKMHGCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)11-12-9(15)6-13(11)5-8(14)4-10(16)17-3/h7-8,11,14H,4-6H2,1-3H3,(H,12,15).
What are the key properties of methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate?
methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate has a molecular weight of 244.29 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-(4-oxo-2-propan-2-ylimidazolidin-1-yl)butanoate is sourced from PubChem (CID 57008663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).