L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)

C₉H₂₀ClNO₂CAS 119483-47-5209.71 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₂₀ClNO₂
Molar mass: 209.71 g/mol
Exact mass: 209.1183 Da
logP: 1.88Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

119483-47-5

SMILES

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

InChIKey

YQHANSSYWITJHA-FJXQXJEOSA-N

InChI

InChI=1S/C9H19NO2.ClH/c1-5-6-7(10)8(11)12-9(2,3)4;/h7H,5-6,10H2,1-4H3;1H/t7-;/m0./s1

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

Names and synonyms

1 names

L-Norvaline, 1,1-dimethylethyl ester, hydrochloride

Work with L-Norvaline, 1,1-dimethylethyl ester, hydrochloride (1:1)

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

L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-368 % similar H-D-Leu-otbu hcl13081-32-863 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-262 % similar N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride13288-57-859 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-757 % similar D-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)201007-86-557 % similar (S)-Phenylalanine tert-butyl ester hydrochloride15100-75-156 % similar L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-156 % similar

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

Same formula

tert-Butyl (2S)-2-amino-3-methylbutanoate hydrochloride13518-40-6 Butyrylcholine chloride2963-78-2 7-Aminoheptanoic acid ethyl ester hydrochloride29840-65-1 N-Methyl-N-pentyl-β-alanine hydrochloride625120-81-2

Elsewhere

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