chempirical

3-Amino-4-cyclobutyl-2-hydroxybutanamide hydrochloride

C8H17ClN2O2CAS 394735-23-0208.69 g/mol

Open in Covalent MOL file
HClNH2OOHNH2
AlcoholPrimary amine

Properties

Molecular formula
C8H17ClN2O2
Molar mass
208.69 g/mol
Exact mass
208.0979 Da
logP
0.82Crippen estimate
Polar surface area
90.3 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
4

Identifiers

CAS number
394735-23-0
SMILES
Cl.N=C(O)C(O)C(N)CC1CCC1
InChIKey
RPOOMVSVQPMDGI-UHFFFAOYSA-N
InChI
InChI=1S/C8H16N2O2.ClH/c9-6(7(11)8(10)12)4-5-2-1-3-5;/h5-7,11H,1-4,9H2,(H2,10,12);1H

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

Names and synonyms

2 names
  • Cyclobutanebutanamide, β-amino-α-hydroxy-, hydrochloride (1:1)
  • Cyclobutanebutanamide, β-amino-α-hydroxy-, monohydrochloride

Work with 3-Amino-4-cyclobutyl-2-hydroxybutanamide 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

Leucinamide hydrochloride10466-61-239 % similar L-Serinamide hydrochloride65414-74-638 % similar (1R,2S)-2-Aminocyclopentanol hydrochloride137254-03-638 % similar (S)-2-Aminobutyramide hydrochloride7682-20-438 % similar L-Alaninamide hydrochloride33208-99-037 % similar L-Prolinamide hydrochloride42429-27-637 % similar (1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-636 % similar cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128110-37-236 % similar

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

Elsewhere

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