4-methoxy-2,3-dimethylbutanoic acid

C7H14O3 — CID 79418013

IUPAC4-methoxy-2,3-dimethylbutanoic acid
SMILESCOCC(C)C(C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(4-10-3)6(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyPQXKPGWZKMRBFU-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.99
Rot. Bonds4

About 4-methoxy-2,3-dimethylbutanoic acid

4-methoxy-2,3-dimethylbutanoic acid (PubChem CID 79418013) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylbutanoic acid
PubChem CID79418013
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name4-methoxy-2,3-dimethylbutanoic acid
SMILESCOCC(C)C(C)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(4-10-3)6(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)
InChIKeyPQXKPGWZKMRBFU-UHFFFAOYSA-N
XLogP0.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-4,5-dimethylhexan-3-one
CID 79416996
4-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 104845056
(2S,3R,4R)-3-hydroxy-5-methoxy-4-methyl-2-(methylamino)pentanoic acid
CID 14589444
2-fluoro-5-methoxy-3-methylpentanoic acid
CID 81357953
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
4-(methoxymethoxy)-2,3-dimethyl-4-oxobutanoic acid
CID 23550695
2,3,14,15-tetramethylhexadecanedioic acid
CID 101494126
4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498512
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
2,2-difluoro-3-hydroxy-5-methoxy-4-methylpentanoic acid
CID 116503142
3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid
CID 79407111

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylbutanoic acid?
The IUPAC name of 4-methoxy-2,3-dimethylbutanoic acid (CID 79418013) is 4-methoxy-2,3-dimethylbutanoic acid.
What is the SMILES notation for 4-methoxy-2,3-dimethylbutanoic acid?
The canonical SMILES for 4-methoxy-2,3-dimethylbutanoic acid is COCC(C)C(C)C(=O)O.
What is the InChIKey of 4-methoxy-2,3-dimethylbutanoic acid?
The InChIKey is PQXKPGWZKMRBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(4-10-3)6(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9).
What are the key properties of 4-methoxy-2,3-dimethylbutanoic acid?
4-methoxy-2,3-dimethylbutanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylbutanoic acid is sourced from PubChem (CID 79418013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).