(S)-2-Hydroxy-3-methylbutanoic acid

C₅H₁₀O₃CAS 17407-55-5118.13 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₅H₁₀O₃
Molar mass: 118.13 g/mol
Exact mass: 118.0630 Da
Melting point: 71–72 °C
logP: 0.09Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17407-55-5

SMILES

CC(C)[C@H](O)C(=O)O

InChIKey

NGEWQZIDQIYUNV-BYPYZUCNSA-N

InChI

InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all

Butanoic acid, 2-hydroxy-3-methyl-, (2S)-
Butanoic acid, 2-hydroxy-3-methyl-, (S)-
Butyric acid, 2-hydroxy-3-methyl-, (L)-
(2S)-2-Hydroxy-3-methylbutanoic acid
L-2-Hydroxy-3-methylbutyric acid
L-α-Hydroxyisovaleric acid
L-2-Hydroxyisovaleric acid
(S)-2-Hydroxyisovaleric acid
(S)-α-Hydroxyisovaleric acid
(+)-2-Hydroxy-3-methylbutyric acid
(+)-α-Hydroxyisovaleric acid
(S)-2-Hydroxy-3-methylbutyric acid
(+)-2-Hydroxyisovaleric acid
(S)-(+)-2-Hydroxyisovaleric acid
(S)-(+)-2-Hydroxy-3-methylbutanoic acid
(S)-(+)-2-Hydroxy-3-methylbutyric acid
L-2-Hydroxy-3-methylbutanoic acid

Work with (S)-2-Hydroxy-3-methylbutanoic acid

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.

(+-)-2-Hydroxyisovaleric acid4026-18-0Stereo not defined

Similar compounds

DL-Tartaric acid133-37-965 % similar D-Tartaric acid147-71-765 % similar 2,3-Dihydroxybutanedioic acid526-83-065 % similar Tartaric acid87-69-465 % similar Mucic acid526-99-862 % similar Saccharic acid87-73-062 % similar Diammonium tartrate3164-29-257 % similar 2-(1-Methylethyl)propanedioic acid601-79-657 % 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 Methyl alpha-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 Methyl (-)-3-hydroxybutyrate3976-69-0

Elsewhere

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