H-D-Leu-otbu hcl

C₁₀H₂₂ClNO₂CAS 13081-32-8223.74 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: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13081-32-8

SMILES

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

InChIKey

RFUWRXIYTQGFGA-DDWIOCJRSA-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-;/m1./s1

Weigh it out

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

Names and synonyms

1 names

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

Work with H-D-Leu-otbu hcl

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.

L-Leucine tert-butyl ester hydrochloride2748-02-9Enantiomer

Similar compounds

L-Cystine bis(T-butyl ester) dihydrochloride38261-78-865 % similar H-Ser(tbu)-otbu hcl51537-21-465 % similar D-Leucine methyl ester hydrochloride5845-53-464 % similar Leucine methyl ester hydrochloride7517-19-364 % similar tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-563 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Octyl 2-aminoacetate Hydrochloride39540-30-2 L-Isoleucine tert-butyl ester hydrochloride69320-89-4 2-(2-(6-Chlorohexyloxy)ethoxy)ethanamine744203-60-9

Elsewhere

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