2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid

C11H18O5 — CID 23550683

IUPAC2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid
SMILESCC(=O)C(C)(C)OC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H18O5/c1-6(9(13)14)7(2)10(15)16-11(4,5)8(3)12/h6-7H,1-5H3,(H,13,14)
InChIKeyCYIWNPFNMUEYSG-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.25
Rot. Bonds5

About 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid

2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid (PubChem CID 23550683) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid
PubChem CID23550683
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid
SMILESCC(=O)C(C)(C)OC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H18O5/c1-6(9(13)14)7(2)10(15)16-11(4,5)8(3)12/h6-7H,1-5H3,(H,13,14)
InChIKeyCYIWNPFNMUEYSG-UHFFFAOYSA-N
XLogP1.25
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-carboxy-2-methylbutanoyl)oxy-2,3-dimethyl-4-oxobutanoic acid
CID 88750735
(2S,3S)-4-methoxy-2,3-dimethyl-4-oxobutanoic acid
CID 92983233
acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 88525633
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
2,3-dimethyl-4-oxopentanoic acid
CID 15560603
(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
CID 10909859
2,3-dimethyl-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutanoic acid
CID 103499035
4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid
CID 23550695
tert-butyl (2S)-2-aminopropanoate;tert-butyl (2R,5S)-2,5,6-trimethyl-4-oxoheptanoate;(2S)-2,3-dimethylbutanoic acid
CID 158867673
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
4-O-tert-butyl 1-O-methyl (3S)-2-hydroxy-3-methylbutanedioate;(3S)-2-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158944220
3-amino-2,5,5-trimethyl-4-oxohexanoic acid
CID 130346585

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid (CID 23550683) is 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid is CC(=O)C(C)(C)OC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid?
The InChIKey is CYIWNPFNMUEYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-6(9(13)14)7(2)10(15)16-11(4,5)8(3)12/h6-7H,1-5H3,(H,13,14).
What are the key properties of 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid?
2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid is sourced from PubChem (CID 23550683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).