tert-Butyl (2S)-2-aminopentanoate hydrochloride

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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

2 names

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

Work with tert-Butyl (2S)-2-aminopentanoate 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

H-Ser(tbu)-otbu hcl51537-21-469 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-668 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-368 % similar L-Cystine bis(T-butyl ester) dihydrochloride38261-78-865 % similar H-D-Leu-otbu hcl13081-32-863 % similar H-Asp(otbu)-otbu hcl1791-13-563 % similar L-Leucine tert-butyl ester hydrochloride2748-02-963 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-262 % 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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