chempirical

3-Aminoisobutyric acid

C4H9NO2CAS 144-90-1103.12 g/mol

Open in Covalent MOL file
H2NOOH
AlcoholCarboxylic AcidPrimary Amine

Properties

Molecular formula
C4H9NO2
Molar mass
103.12 g/mol
Exact mass
103.0633 Da
Melting point
181–182 °C
logP
-0.33Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
144-90-1
SMILES
CC(CN)C(=O)O
InChIKey
QCHPKSFMDHPSNR-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c1-3(2-5)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

16 names · show all
  • Propanoic acid, 3-amino-2-methyl-
  • 3-Amino-2-methylpropanoic acid
  • β-Aminoisobutyric acid
  • α-Methyl-β-alanine
  • 2-Methyl-3-aminopropionic acid
  • 2-Methyl-β-alanine
  • 3-Amino-2-methylpropionic acid
  • DL-2-Methyl-β-alanine
  • (±)-3-Amino-2-methylpropanoic acid
  • (±)-β-Aminoisobutyric acid
  • (±)-3-Aminoisobutyric acid
  • DL-β-Aminoisobutyric acid
  • DL-3-Amino-2-methylpropionic acid
  • DL-3-amino-2-methylpropanoic acid
  • DL-3-Aminoisobutyric acid
  • (±)-3-Amino-2-methylpropionic acid

Work with 3-Aminoisobutyric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Ethyl N-methylcarbamate105-40-8 β-Aminoisobutyric acid10569-72-9 Ethyl N-hydroxyethanimidate10576-12-2 Dimethylglycine1118-68-9 2-Hydroxy-2-methylpropanamide13027-88-8 N-(2-Hydroxyethyl)acetamide142-26-7 (+)-α-Aminobutyric acid1492-24-6 D-α-Aminobutyric acid2623-91-8

Elsewhere

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