L-Leucine tert-butyl ester hydrochloride

C₁₀H₂₂ClNO₂CAS 2748-02-9223.74 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: Sin SMILES atom order

Identifiers

CAS number

2748-02-9

SMILES

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

InChIKey

RFUWRXIYTQGFGA-QRPNPIFTSA-N

InChI

InChI=1S/C10H21NO2.ClH/c1-7(2)6-8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t8-;/m0./s1

Weigh it out

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

Names and synonyms

1 names

tert-Butyl (2S)-2-amino-4-methylpentanoate hydrochloride

Work with L-Leucine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

H-D-Leu-otbu hcl13081-32-8Enantiomer

Similar compounds

L-Cystine bis(T-butyl ester) dihydrochloride38261-78-865 % similar Leucine methyl ester hydrochloride7517-19-364 % similar L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)119483-47-563 % similar H-Asp(otbu)-otbu hcl1791-13-563 % similar Leucine ethyl ester hydrochloride2743-40-061 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-660 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-360 % similar L-Alanine tert-butyl ester hydrochloride13404-22-358 % similar

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

Same formula

Octyl 2-aminoacetate Hydrochloride39540-30-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook