(2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C11H18O6 — CID 6398857

IUPAC(2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](CC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H18O6/c1-11(2,3)17-9(13)6-7(10(14)15)5-8(12)16-4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1
InChIKeyDPWIXOZENQSBDV-SSDOTTSWSA-N
MW246.26 g/mol
LogP0.98
Rot. Bonds5

About (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

(2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 6398857) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID6398857
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](CC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H18O6/c1-11(2,3)17-9(13)6-7(10(14)15)5-8(12)16-4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1
InChIKeyDPWIXOZENQSBDV-SSDOTTSWSA-N
XLogP0.98
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

3-(Ethoxycarbonyl)pentanedioic acid
CID 122714131
Tripropyl propane-1,2,3-tricarboxylate
CID 220124
1,2,3-Triethyl 1,2,3-propanetricarboxylate
CID 221055
5-(Tert-butoxy)-3,3-dimethyl-5-oxopentanoic acid
CID 15631255
1,2-Cyclopropanedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (1R,2R)-
CID 96068259
4-(2-(Tert-butoxy)-2-oxoethyl)oxane-4-carboxylic acid
CID 122155371
2,3-Bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 139621467
Terpenylic acid
CID 117328
rac-(1R,3S)-3-[(tert-butoxy)carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041626
Tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate
CID 83671784
2-((Tert-butoxy)carbonyl)-3-(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 155822903
trans-(1S,2R)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 134860861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 6398857) is (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is COC(=O)C[C@H](CC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is DPWIXOZENQSBDV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18O6/c1-11(2,3)17-9(13)6-7(10(14)15)5-8(12)16-4/h7H,5-6H2,1-4H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
(2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 6398857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).