Methyl 3-hydroxycyclobutanecarboxylate

C₆H₁₀O₃CAS 4934-99-0130.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀O₃
Molar mass: 130.14 g/mol
Exact mass: 130.0630 Da
Boiling point: 87–93 °C (at 2.45 Torr)
logP: -0.07Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

4934-99-0

SMILES

COC(=O)C1CC(O)C1

InChIKey

BYKHAEUVLSBWSU-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O3/c1-9-6(8)4-2-5(7)3-4/h4-5,7H,2-3H2,1H3

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Names and synonyms

3 names

Cyclobutanecarboxylic acid, 3-hydroxy-, methyl ester
3-Hydroxycyclobutanecarboxylic acid methyl ester
Methyl 3-hydroxycyclobutane-1-carboxylate

Work with Methyl 3-hydroxycyclobutanecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-hydroxycyclohexanecarboxylate17449-76-268 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-159 % similar Methyl cyclopropanecarboxylate2868-37-358 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-258 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-058 % similar Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-752 % similar 1,4-Dimethyl 2,3-dihydroxy- (2R,3R)butanedioate608-68-452 % similar Methyl cyclohexanecarboxylate4630-82-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl (2S)-2-oxiraneacetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0 Ethyl 2-oxobutanoate15933-07-0

Elsewhere

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