5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid

C20H28O6 — CID 134524261

IUPAC5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid
SMILESCC(C)OC(=O)c1ccc(CC(CCC(=O)O)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H28O6/c1-13(2)25-18(23)15-8-6-14(7-9-15)12-16(10-11-17(21)22)19(24)26-20(3,4)5/h6-9,13,16H,10-12H2,1-5H3,(H,21,22)
InChIKeyWMRPREVGPGVLJK-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.62
Rot. Bonds8

About 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid

5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid (PubChem CID 134524261) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid
PubChem CID134524261
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid
SMILESCC(C)OC(=O)c1ccc(CC(CCC(=O)O)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H28O6/c1-13(2)25-18(23)15-8-6-14(7-9-15)12-16(10-11-17(21)22)19(24)26-20(3,4)5/h6-9,13,16H,10-12H2,1-5H3,(H,21,22)
InChIKeyWMRPREVGPGVLJK-UHFFFAOYSA-N
XLogP3.62
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid with MolForge

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Related Compounds

4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-5-oxo-5-phenylmethoxypentanoic acid
CID 156817821
5-[(2-methylpropan-2-yl)oxy]-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]-5-oxopentanoic acid
CID 134523933
4-[5-(acetyloxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentyl]benzoic acid
CID 134524156
2-[(4-propan-2-yloxycarbonylphenyl)methyl]hex-5-enoic acid
CID 134523910
propan-2-yl 4-ethylbenzoate
CID 583760
4-[[4-[[4-(2-methylpropanoyloxy)phenyl]methoxycarbonyl]phenyl]methyl]-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 142355047
2-[(4-ethoxycarbonylphenyl)methyl]heptanedioic acid
CID 19755648
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
CID 15186645
tert-butyl 4-[4-(2-aminopropyl)phenyl]benzoate;ethane
CID 143794489
tert-butyl 4-[5-[(3,5-dimethyl-1-adamantyl)carbamoyloxyamino]-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentyl]benzoate
CID 134533422
(4S)-4-[(1-methylimidazol-4-yl)methyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 159086676

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid (CID 134524261) is 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid is CC(C)OC(=O)c1ccc(CC(CCC(=O)O)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid?
The InChIKey is WMRPREVGPGVLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6/c1-13(2)25-18(23)15-8-6-14(7-9-15)12-16(10-11-17(21)22)19(24)26-20(3,4)5/h6-9,13,16H,10-12H2,1-5H3,(H,21,22).
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid?
5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid has a molecular weight of 364.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(4-propan-2-yloxycarbonylphenyl)methyl]pentanoic acid is sourced from PubChem (CID 134524261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).