(S)-3-Aminobutyric acid

C₄H₉NO₂CAS 3775-72-2103.12 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₉NO₂
Molar mass: 103.12 g/mol
Exact mass: 103.0633 Da
logP: -0.19Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H319 Causes serious eye irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

3775-72-2

SMILES

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

InChIKey

OQEBBZSWEGYTPG-VKHMYHEASA-N

InChI

InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

Weigh it out

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

Work with (S)-3-Aminobutyric 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.

(-)-3-Aminobutyric acid3775-73-3Enantiomer β-Aminobutyric acid541-48-0Stereo not defined β-Aminobutyric acid2835-82-7Stereo not defined L-Beta-homoalanine hydrochloride58610-41-6Salt

Similar compounds

3-Methylbutanoic acid503-74-256 % similar 3-Methylglutaric acid626-51-756 % similar (S)-(-)-Methylsuccinic acid2174-58-554 % similar (+)-Methylsuccinic acid3641-51-854 % similar 2-Methylsuccinic acid498-21-554 % similar Beta-hydroxybutyric acid300-85-652 % similar L-3-Hydroxybutyric acid6168-83-852 % similar 3-Hydroxybutyric acid625-71-852 % similar

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

Same formula

Ethyl N-methylcarbamate105-40-8 Beta-aminoisobutyric acid10569-72-9 Ethyl N-hydroxyethanimidate10576-12-2 Dimethylglycine1118-68-9 2-Hydroxy-2-methylpropanamide13027-88-8 N-(2-Hydroxyethyl)acetamide142-26-7 3-Aminoisobutyric acid144-90-1 (+)-α-Aminobutyric acid1492-24-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook