H-Asp(OtBu)-OMe.HCl

C₉H₁₈ClNO₄CAS 2673-19-0239.70 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₈ClNO₄
Molar mass: 239.70 g/mol
Exact mass: 239.0924 Da
logP: 0.64Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3
Stereocentres: Sin 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

2673-19-0

SMILES

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

InChIKey

SFYKWYAIJZEDNG-RGMNGODLSA-N

InChI

InChI=1S/C9H17NO4.ClH/c1-9(2,3)14-7(11)5-6(10)8(12)13-4;/h6H,5,10H2,1-4H3;1H/t6-;/m0./s1

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Names and synonyms

1 names

H-Asp(otbu)-ome hcl

Work with H-Asp(OtBu)-OMe.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

Similar compounds

H-Asp(otbu)-otbu hcl1791-13-581 % similar L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-175 % similar Dimethyl aspartate hydrochloride32213-95-972 % similar D-Aspartic acid dimethyl ester hydrochloride69630-50-872 % similar O-tert-Butyl-L-serine methyl ester hydrochloride17114-97-563 % similar (R)-Methyl 2-amino-3-(tert-butoxy)propanoate hydrochloride78537-14-163 % similar H-Dap(boc)-ome hcl114559-25-061 % 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

Diethyl L-glutamate hydrochloride1118-89-4 (±)-Acetylcarnitine chloride2504-11-2 Acetyl L-carnitine hydrochloride5080-50-2

Elsewhere

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