methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate

C11H18N2O4 — CID 80580588

IUPACmethyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)(O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C11H18N2O4/c1-8(2)13-6-5-12(10(13)15)7-11(3,16)9(14)17-4/h5-6,8,16H,7H2,1-4H3
InChIKeyVTLFHIIXESWMLS-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.15
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate

methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate (PubChem CID 80580588) has the molecular formula C11H18N2O4 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate
PubChem CID80580588
Molecular FormulaC11H18N2O4
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate
SMILESCOC(=O)C(C)(O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C11H18N2O4/c1-8(2)13-6-5-12(10(13)15)7-11(3,16)9(14)17-4/h5-6,8,16H,7H2,1-4H3
InChIKeyVTLFHIIXESWMLS-UHFFFAOYSA-N
XLogP0.15
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate (CID 80580588) is methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate is COC(=O)C(C)(O)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate?
The InChIKey is VTLFHIIXESWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8(2)13-6-5-12(10(13)15)7-11(3,16)9(14)17-4/h5-6,8,16H,7H2,1-4H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate?
methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate has a molecular weight of 242.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanoate is sourced from PubChem (CID 80580588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).