β-Aminobutyric acid

C₄H₉NO₂CAS 2835-82-7103.12 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
Melting point: 193 °C
logP: -0.19Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% 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

2835-82-7

SMILES

CC(N)CC(=O)O

InChIKey

OQEBBZSWEGYTPG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

22 names · show all

Butanoic acid, 3-amino-
Butyric acid, 3-amino-
Butyric acid, β-amino-
3-Aminobutanoic acid
β-Amino-n-butyric acid
3-Aminobutyric acid
β-Aminobutanoic acid
β-Methyl-β-alanine
Carbocreatine
3-Methyl-β-alanine
DL-3-Aminobutyric acid
DL-β-Aminobutyric acid
(±)-3-Aminobutanoic acid
(±)-β-Aminobutyric acid
DL-3-Aminobutanoic acid
(±)-3-Amino-n-butyric acid
(RS)-3-Aminobutanoic acid
(±)-3-Aminobutyric acid
NSC 77380
BABA
3-Azaniumylbutanoate
Beta-aminobutyric acid

Work with β-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 acid3775-73-3Defined stereoisomer (S)-3-Aminobutyric acid3775-72-2Defined stereoisomer L-Beta-homoalanine hydrochloride58610-41-6Salt, defined stereoisomer β-Aminobutyric acid541-48-0

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

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