(2R)-4-methoxy-2-methyl-4-oxobutanoic acid

C6H10O4 — CID 6398856

IUPAC(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
SMILESCOC(=O)C[C@@H](C)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKeyUVQYBUYGFBXQGO-SCSAIBSYSA-N
MW146.14 g/mol
LogP0.27
Rot. Bonds3

About (2R)-4-methoxy-2-methyl-4-oxobutanoic acid

(2R)-4-methoxy-2-methyl-4-oxobutanoic acid (PubChem CID 6398856) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2R)-4-methoxy-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
PubChem CID6398856
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
SMILESCOC(=O)C[C@@H](C)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKeyUVQYBUYGFBXQGO-SCSAIBSYSA-N
XLogP0.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
CID 19860300
4-methoxy-2-(2-methylpropanoylamino)-4-oxobutanoic acid
CID 76989109
methyl 3,4-dimethylpentanoate
CID 554058
(2S)-2-bromo-4-methoxy-4-oxobutanoic acid
CID 10656109
ethane;methyl 5-fluoro-3-methyl-4-oxopentanoate
CID 145095844
(2S)-2-(2-methoxy-2-oxoethyl)-3-methylpentanoic acid
CID 158850250
2,6-dimethyl-4-oxoheptanedioic acid
CID 19810818
methyl 3-methyl-4-oxo-4-phenylbutanoate
CID 10774657
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
methyl butanoate;2-methylbutanoic acid
CID 87240757

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-2-methyl-4-oxobutanoic acid?
The IUPAC name of (2R)-4-methoxy-2-methyl-4-oxobutanoic acid (CID 6398856) is (2R)-4-methoxy-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-methoxy-2-methyl-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-methoxy-2-methyl-4-oxobutanoic acid is COC(=O)C[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-4-methoxy-2-methyl-4-oxobutanoic acid?
The InChIKey is UVQYBUYGFBXQGO-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1.
What are the key properties of (2R)-4-methoxy-2-methyl-4-oxobutanoic acid?
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 6398856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).