L-3-Hydroxybutyric acid

C₄H₈O₃CAS 6168-83-8104.10 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₄H₈O₃
Molar mass: 104.10 g/mol
Exact mass: 104.0473 Da
Melting point: 45–48 °C
logP: -0.16Crippen 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 40 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

6168-83-8

SMILES

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

InChIKey

WHBMMWSBFZVSSR-VKHMYHEASA-N

InChI

InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

Butanoic acid, 3-hydroxy-, (3S)-
Butyric acid, 3-hydroxy-, L-
Butanoic acid, 3-hydroxy-, (S)-
(3S)-3-Hydroxybutanoic acid
L-β-Hydroxybutyric acid
L-(+)-3-Hydroxybutyric acid
(S)-3-Hydroxybutanoic acid
(S)-3-Hydroxybutyric acid
(3S)-3-Hydroxybutyric acid
(+)-3-Hydroxybutyric acid
(+)-3-Hydroxy-n-butyric acid
(S)-β-Hydroxybutanoic acid
(S)-(+)-β-Hydroxybutyric acid

Work with L-3-Hydroxybutyric 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.

(3R)-3-Hydroxybutanoic acid625-72-9Enantiomer Beta-hydroxybutyric acid300-85-6Stereo not defined 3-Hydroxybutyric acid625-71-8Stereo not defined Sodium 3-hydroxybutyrate306-31-0Salt, stereo not defined Sodium 3-hydroxybutyrate150-83-4Salt, stereo not defined 3-Hydroxybutanoic acid magnesium salt586976-57-0Salt, stereo not defined

Similar compounds

3-Methylbutanoic acid503-74-258 % similar 3-Methylglutaric acid626-51-758 % similar β-Aminobutyric acid2835-82-752 % similar (S)-3-Aminobutyric acid3775-72-252 % similar (-)-3-Aminobutyric acid3775-73-352 % similar β-Aminobutyric acid541-48-052 % similar 3-Methylpentanoic acid105-43-150 % similar (S)-3-Methyl-pentanoic acid1730-92-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(+)-Methyl lactate17392-83-5 (S)-(-)-2-Methoxypropionic acid23953-00-6 (-)-Methyl lactate27871-49-4 (S)-2-Hydroxybutyric acid3347-90-8 Erythritan4358-64-9 1,3-Dioxan-5-ol4740-78-7 2,2-Dimethoxyacetaldehyde51673-84-8

Elsewhere

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