chempirical

2-Aminoisobutyric acid

C4H9NO2CAS 62-57-7103.12 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H9NO2
Molar mass
103.12 g/mol
Exact mass
103.0633 Da
Melting point
335 °C
logP
-0.19Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
62-57-7
SMILES
CC(C)(N)C(=O)O
InChIKey
FUOOLUPWFVMBKG-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)

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Names and synonyms

13 names · show all
  • Alanine, 2-methyl-
  • 2-Methylalanine
  • AIB
  • α-Aminoisobutyric acid
  • α-Methylalanine
  • Aminoisobutyric acid
  • 2-Amino-2-methylpropanoic acid
  • α,α-Dimethylglycine
  • α-Aminoisobutanoic acid
  • 2-Amino-2-methylpropionic acid
  • 2,2-Dimethylglycine
  • NSC 16590
  • 21: PN: WO2005055994 PAGE: 50 claimed sequence

Reactions

Work with 2-Aminoisobutyric 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

Similar compounds

Dimethylmalonic acid595-46-050 % similar Dl-isovaline465-58-746 % similar L-α-Methylvaline53940-83-346 % similar 2-Methylserine5424-29-346 % similar Isovaline595-39-146 % similar Isovaline595-40-446 % similar 2-Hydroxyisobutyric acid594-61-646 % similar Bromoisobutyric acid2052-01-944 % similar

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

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 3-Aminoisobutyric acid144-90-1 (+)-α-Aminobutyric acid1492-24-6

Elsewhere

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