chempirical

Methyl (2R)-3-hydroxy-2-methylpropanoate

C5H10O3CAS 72657-23-9118.13 g/mol

Open in Covalent MOL file
HOOO
AlcoholEster

Properties

Molecular formula
C5H10O3
Molar mass
118.13 g/mol
Exact mass
118.0630 Da
logP
-0.21Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
72657-23-9
SMILES
C[C@H](CO)C(=O)OC
InChIKey
ATCCIZURPPEVIZ-SCSAIBSYSA-N
InChI
InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1

Weigh it out

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Names and synonyms

1 names
  • (R)-(-)-3-Hydroxy-2-methylpropionic acid methyl ester

Work with Methyl (2R)-3-hydroxy-2-methylpropanoate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl (S)-(+)-3-hydroxy-2-methylpropionate80657-57-4Enantiomer

Similar compounds

(±)-Methyl 2-methylbutanoate868-57-561 % similar Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-759 % similar Methyl 2-methylpentanoate2177-77-757 % similar Dimethyl (R)-(+)-methylsuccinate22644-27-557 % similar (S)-(-)-Methylsuccinic acid dimethyl ester63163-08-657 % similar (1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate110928-44-453 % similar Methyl 2-amino-3-hydroxypropionate hydrochloride5619-04-552 % similar Serine methyl ester hydrochloride5680-80-852 % similar

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

Same formula

Diethyl carbonate105-58-8 Ethylene glycol monomethyl ether acetate110-49-6 (S)-2-Hydroxy-3-methylbutanoic acid17407-55-5 Methyl 2-hydroxyisobutyrate2110-78-3 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-9 (±)-2-Hydroxy-2-methylbutyric acid3739-30-8 Methyl 3-methoxypropionate3852-09-3 Ethyl 2-methoxyacetate3938-96-3

Elsewhere

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