methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate

C15H20N2O4 — CID 117472059

IUPACmethyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(N2CCN(C(C)C)C2=O)c1
InChIInChI=1S/C15H20N2O4/c1-10(2)16-7-8-17(15(16)20)12-6-4-5-11(9-12)13(18)14(19)21-3/h4-6,9-10,13,18H,7-8H2,1-3H3
InChIKeyLPZGOBLVEAMEKN-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate

methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate (PubChem CID 117472059) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
PubChem CID117472059
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(N2CCN(C(C)C)C2=O)c1
InChIInChI=1S/C15H20N2O4/c1-10(2)16-7-8-17(15(16)20)12-6-4-5-11(9-12)13(18)14(19)21-3/h4-6,9-10,13,18H,7-8H2,1-3H3
InChIKeyLPZGOBLVEAMEKN-UHFFFAOYSA-N
XLogP1.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
methyl 2-hydroxy-2-[3-(2-oxopiperazin-1-yl)phenyl]acetate
CID 117414843
methyl 2-hydroxy-2-[3-(4-methylpiperazin-1-yl)phenyl]acetate
CID 117415412
3-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanal
CID 117438638
methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
CID 117337590
methyl 2-hydroxy-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]acetate
CID 117414840
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974
1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117487167
methyl 2-hydroxy-2-[3-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117337585
4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
CID 117469221
3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 117412461

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate (CID 117472059) is methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate is COC(=O)C(O)c1cccc(N2CCN(C(C)C)C2=O)c1.
What is the InChIKey of methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate?
The InChIKey is LPZGOBLVEAMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)16-7-8-17(15(16)20)12-6-4-5-11(9-12)13(18)14(19)21-3/h4-6,9-10,13,18H,7-8H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate?
methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate has a molecular weight of 292.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate is sourced from PubChem (CID 117472059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).