chempirical

γ-Aminobutyric acid

C4H9NO2CAS 56-12-2103.12 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
203 °C (decomposes)
pKa
10.6
logP
-0.19Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
56-12-2
SMILES
NCCCC(=O)O
InChIKey
BTCSSZJGUNDROE-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

Weigh it out

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

Names and synonyms

32 names · show all
  • Butanoic acid, 4-amino-
  • Butyric acid, 4-amino-
  • 4-Aminobutanoic acid
  • GABA
  • Gamma-aminobutyric acid
  • 4-Aminobutyric acid
  • Piperidinic acid
  • Piperidic acid
  • Gammalon
  • Gamarex
  • Gammalone
  • Gammasol
  • Mielogen
  • Mielomade
  • Gaballon
  • Gammar
  • γ-Aminobutanoic acid
  • Aminalon
  • ω-Aminobutyric acid
  • 3-Carboxypropylamine
  • NSC 27418
  • NSC 32044
  • NSC 45460
  • NSC 51295
  • Pharmagaba
  • Pharmagaba 20
  • Pharmagaba 20D
  • Pharma-GABA 20S
  • Oryza GABA extract HC 90
  • Pharma GABA 30L
  • Lacto gaban
  • 1: PN: TWI669392 SEQID: 1 claimed sequence

Reactions

Work with γ-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

Similar compounds

5-Aminovaleric acid660-88-886 % similar 8-Aminooctanoic acid1002-57-982 % similar 11-Aminoundecanoic acid2432-99-782 % similar 6-Aminohexanoic acid60-32-282 % similar 12-Aminododecanoic acid693-57-282 % similar 7-Aminoheptanoic acid929-17-982 % similar 5-Aminovaleric acid hydrochloride627-95-275 % similar 7-Aminoheptanoic acid hydrochloride62643-56-572 % 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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