chempirical

(S)-2-Aminobutyramide hydrochloride

C4H11ClN2OCAS 7682-20-4138.59 g/mol

Open in Covalent MOL file
NH2NH2OHCl
Primary amine

Properties

Molecular formula
C4H11ClN2O
Molar mass
138.59 g/mol
Exact mass
138.0560 Da
logP
0.68Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
7682-20-4
SMILES
CC[C@H](N)C(=N)O.Cl
InChIKey
HDBMIDJFXOYCGK-DFWYDOINSA-N
InChI
InChI=1S/C4H10N2O.ClH/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H/t3-;/m0./s1

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

Names and synonyms

7 names
  • Butanamide, 2-amino-, hydrochloride (1:1), (2S)-
  • Butyramide, 2-amino-, monohydrochloride, L-
  • Butanamide, 2-amino-, monohydrochloride, (S)-
  • Butanamide, 2-amino-, monohydrochloride, (2S)-
  • (S)-(+)-2-Aminobutanamide hydrochloride
  • (S)-2-Aminobutanamide hydrochloride
  • (2S)-2-Aminobutanamide hydrochloride

Work with (S)-2-Aminobutyramide hydrochloride

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

L-Serinamide hydrochloride65414-74-662 % similar Leucinamide hydrochloride10466-61-261 % similar L-Alaninamide hydrochloride33208-99-050 % similar (+)-α-Aminobutyric acid1492-24-645 % similar D-α-Aminobutyric acid2623-91-845 % similar α-Aminobutyric acid2835-81-645 % similar α-Aminobutyric acid80-60-445 % similar (2S)-2-Amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride71666-95-045 % similar

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

Elsewhere

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