2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid

C9H16O4 — CID 114997758

IUPAC2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(OC1CCC1)C(=O)O
InChIInChI=1S/C9H16O4/c1-9(6-12-2,8(10)11)13-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyMCXLLLBWQIPYGE-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.05
Rot. Bonds5

About 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid

2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid (PubChem CID 114997758) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
PubChem CID114997758
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(OC1CCC1)C(=O)O
InChIInChI=1S/C9H16O4/c1-9(6-12-2,8(10)11)13-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyMCXLLLBWQIPYGE-UHFFFAOYSA-N
XLogP1.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyloxy-4-methoxy-2-methylbutanoic acid
CID 114999950
2-cyclobutyloxy-2,4-dimethylpentanoic acid
CID 114995104
2-cyclopentyloxy-2,5-dimethylhexanoic acid
CID 114988575
2-cyclopentyloxy-2-ethylbutanoic acid
CID 114987710
2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002428
3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid
CID 114997203
2-cyclohexyloxy-2-cyclopropylpropanoic acid
CID 82238646
2-cyclopropyl-2,3-dimethoxypropanoic acid
CID 116769537
2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002746
S-(2-methoxyethyl) 2-cyclopentyloxy-2-methylpropanethioate
CID 89371225
2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
S-(2-methoxyethyl) 2-cyclohexyloxy-2-methylpropanethioate
CID 89371229

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid (CID 114997758) is 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid is COCC(C)(OC1CCC1)C(=O)O.
What is the InChIKey of 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid?
The InChIKey is MCXLLLBWQIPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(6-12-2,8(10)11)13-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid?
2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 114997758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).