L-Isoleucine tert-butyl ester hydrochloride

C₁₀H₂₂ClNO₂CAS 69320-89-4223.74 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₂₂ClNO₂
Molar mass: 223.74 g/mol
Exact mass: 223.1339 Da
logP: 2.12Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: S, 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

69320-89-4

SMILES

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)N.Cl

InChIKey

IFRYMHOZFAPYPJ-WSZWBAFRSA-N

InChI

InChI=1S/C10H21NO2.ClH/c1-6-7(2)8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t7-,8-;/m0./s1

Weigh it out

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

Work with L-Isoleucine tert-butyl ester 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

Methyl isoleucinate hydrochloride18598-74-866 % similar tert-Butyl (2S)-2-amino-3-methylbutanoate hydrochloride13518-40-665 % similar Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-664 % similar L-Valine tert-butyl ester13211-31-957 % similar tert-Butyl alaninate hydrochloride13404-22-355 % similar D-Alanine tert-butyl ester hydrochloride59531-86-155 % similar H-Ile-nh2 hcl10466-56-554 % similar O-(1,1-Dimethylethyl)-L-threonine 1,1-dimethylethyl ester5854-78-453 % similar

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

Same formula

H-D-Leu-otbu hcl13081-32-8 L-Leucine tert-butyl ester hydrochloride2748-02-9 Octyl 2-aminoacetate Hydrochloride39540-30-2 2-(2-(6-Chlorohexyloxy)ethoxy)ethanamine744203-60-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook