(2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C11H20O5 — CID 58289532

IUPAC(2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCO[C@H](C)C(CC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H20O5/c1-7(15-5)8(10(13)14)6-9(12)16-11(2,3)4/h7-8H,6H2,1-5H3,(H,13,14)/t7-,8?/m1/s1
InChIKeyFLBDIAGNKUHWPJ-GVHYBUMESA-N
MW232.28 g/mol
LogP1.45
Rot. Bonds5

About (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

(2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 58289532) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID58289532
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCO[C@H](C)C(CC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H20O5/c1-7(15-5)8(10(13)14)6-9(12)16-11(2,3)4/h7-8H,6H2,1-5H3,(H,13,14)/t7-,8?/m1/s1
InChIKeyFLBDIAGNKUHWPJ-GVHYBUMESA-N
XLogP1.45
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid with MolForge

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Related Compounds

2-[(1S)-1-hydroxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158254830
2-(1-methoxyethyl)-4-oxo-4-propan-2-yloxybutanoic acid
CID 118686479
(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
CID 122408523
tert-butyl (3R,4R)-3-(aminomethyl)-4-methoxypentanoate
CID 158447815
CID 123197346
CID 123197346
5-[(2-methylpropan-2-yl)oxy]-2,3-bis[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
CID 19038649
(2S)-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoyl]amino]propanoic acid
CID 157091063
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1R)-1-phenylethyl]butanoic acid
CID 67209959
4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 67209446
2-ethyl-3-methoxybutanoic acid
CID 54291806
tert-butyl (3R)-3,4,4-trimethylpentanoate
CID 89006070
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 139971647

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 58289532) is (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is CO[C@H](C)C(CC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is FLBDIAGNKUHWPJ-GVHYBUMESA-N. The full InChI is InChI=1S/C11H20O5/c1-7(15-5)8(10(13)14)6-9(12)16-11(2,3)4/h7-8H,6H2,1-5H3,(H,13,14)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
(2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-methoxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 58289532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).