chempirical

L-Beta-homoleucine hydrochloride

C7H16ClNO2CAS 96386-92-4181.66 g/mol

Open in Covalent MOL file
OOHNH2HCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
logP
1.26Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
96386-92-4
SMILES
CC(C)C[C@@H](CC(=O)O)N.Cl
InChIKey
NXVYPYHWONGEFQ-RGMNGODLSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)4-7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H/t6-;/m0./s1

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Names and synonyms

1 names
  • (3S)-3-Amino-5-methylhexanoic acid hydrochloride

Work with L-Beta-homoleucine 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

(S)-3-Aminohexanedioic acid hydrochloride61884-74-059 % similar L-Beta-homoalanine hydrochloride58610-41-658 % similar 3-Isobutylglutaric acid75143-89-456 % similar 3-Methylbutanoic acid503-74-253 % similar 3-(Aminomethyl)-5-methylhexanoic acid128013-69-453 % similar 3-(Aminomethyl)-5-methylhexanoic acid130912-52-653 % similar Pregabalin148553-50-853 % similar (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-251 % similar

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

Same formula

tert-Butyl alaninate hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 N-Me-val-ome hcl3339-44-4 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9

Elsewhere

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